SCHEMBL4236994

SCHEMBL4236994

COc1cccc(C(=O)C2CCNCC2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.55
GRM2 Q14416 2/20 0.55
HSD11B1 P28845 1/20 0.52
CNR2 P34972 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 4/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4236997 0.99 HTR2A (0.54) HTR2AGRM2HSD11B1CNR2NPC1
Trifluoroacetic Acid SCHEMBL29579487 0.91 HTR2A (0.51) HTR2AGRM2HSD11B1CNR2NPC1
Trifluoroacetic Acid SCHEMBL22118447 0.91 HTR2A (0.51) HTR2AGRM2HSD11B1CNR2NPC1
SCHEMBL22118493 0.88 HTR2A (0.44) HTR2AGRM2HSD11B1HTR3EHTR3B
SCHEMBL13701309 0.86 HTR2A (0.54) HTR2AGRM2HSD11B1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15566023 0.85 HTR2C (0.53) HSD11B1ALDH1A1LMNAHTR3EHTR3B
SCHEMBL5968538 0.85 HTR2A (0.43) HTR2AGRM2HSD11B1HTR3EHTR3B
SCHEMBL14420434 0.83 MEN1 (0.44) HTR2AGRM2HSD11B1CNR2NPC1
SCHEMBL4232496 0.80 HSD11B1 (0.64) HTR2AGRM2HSD11B1ALDH1A1LMNA
SCHEMBL13701285 0.78 HTR2A (0.58) HTR2AGRM2HSD11B1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106272-A1 Deuterated Forms And Derivatives Of Volinanserin TERRAN BIOSCIENCES, INC. 2022-04-07 US disclosed
WO-2020132461-A1 DEUTERATED FORMS AND DERIVATIVES OF VOLINANSERIN CONCERT PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 US disclosed
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 US disclosed
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 US disclosed
CN-101412693-A 4-[1-hydroxy-1-(2,3-dimethoxyphenyl)methyl]piperidine and method for preparing corresponding piperidine thereby AVENTIS PHARMA INC (US) 2009-04-22 CN disclosed
CN-101333184-A Processes for the preparation of (r)-alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4 piperidinemethanol AVENTIS PHARMA INC (US) 2008-12-31 CN disclosed
CN-100436415-C Process for the preparation of -alpha- (2, 3-dimethoxyphenyl) -1- [2- (4-fluorophenyl) ethyl ] -4-piperidinemethanol HOECHST PHARMACEUTICAL INC (US) 2008-11-26 CN disclosed
US-7332607-B2 Processes for the preparation of (R)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS HOLDINGS INC. (US) 2008-02-19 US disclosed
US-7332607-B2 Processes for the preparation of (R)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS HOLDINGS INC. (US) 2008-02-19 US disclosed
EP-1736469-A2 Processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-Fluorophenyl)ethyl]-4-piperidinemethanol Aventis Pharmaceuticals Inc. (US) 2006-12-27 EP disclosed
EP-1734037-A2 Processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol\ Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 US disclosed
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US disclosed
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. 2004-10-21 US disclosed
US-6713627-B2 FOR RECEPTOR ANTAGONISTS IN TREATMENT OF SCHIZOLPHRENIA, ANXIETY, VARIANT ANGINA, ANOREXIA VERVOSA, RAYNAUD'S PHENOMENON, INTERMITTENT CLAUDICATION, CORONARY OR PERIPHERAL VASOSPASMS, FIBROMYALGIA, CARDIAC ARRHYTHMIA'S, AND THROMBOSIS AVENTIS PHARMACEUTICALS INC. 2004-03-30 US disclosed
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTISUB II INC. 2002-10-17 US disclosed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 EP disclosed
CN-1300280-A Process for the preparation of -alpha- (2, 3-dimethoxyphenyl) -1- [ 2- (4-fluorophenyl) ethyl ] -4-piperidinemethanol HOECHST PHARMA (US) 2001-06-20 CN disclosed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CBR1 HTR2A 1865/4885GRM2 715/4885HSD11B1 749/4885
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 HTR2A 1477/4885GRM2 781/4885HSD11B1 728/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 HTR2A 1477/4885GRM2 781/4885HSD11B1 728/4885
US-20220106272-A1 Deuterated Forms And Derivatives Of Volinanserin DRD2, HTR3A, COMT HTR2A 16/4885GRM2 848/4885HSD11B1 186/4885
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CYP1A1 HTR2A 1662/4885GRM2 695/4885HSD11B1 693/4885
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 HTR2A 1477/4885GRM2 781/4885HSD11B1 728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.