SCHEMBL4226089

SCHEMBL4226089

Cc1ccc(C(C(=O)Cl)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NFE2L2 Q16236 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
SLC6A9 P48067 1/20 0.40

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
SCHEMBL5684986 0.90 HDAC3 (0.57) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL10965487 0.82 CNR1 (0.53) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL16807291 0.82 ACHE (0.52) ACHESMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL27845968 0.75 HDAC3 (0.45) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL16807289 0.75 TDP1 (0.61) ACHESMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL8427950 0.74 GRM7 (0.45) SMN1; SMN2LMNAALDH1A1HDAC3HDAC4
SCHEMBL8427952 0.74 GRM7 (0.45) SMN1; SMN2LMNAALDH1A1HDAC3HDAC4
SCHEMBL8427951 0.74 GRM7 (0.45) SMN1; SMN2LMNAALDH1A1HDAC3HDAC4
SCHEMBL11747129 0.73 SMN1; SMN2 (0.53) ACHESMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL11749144 0.73 SMN1; SMN2 (0.53) ACHESMN1; SMN2LMNAALDH1A1TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1192134-B1 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL AVENTIS PHARMA INC (US) 2007-09-19 EP 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
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 ACHE 488/4885SMN1; SMN2 1726/4885LMNA 1255/4885
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 ACHE 435/4885SMN1; SMN2 2417/4885LMNA 1389/4885
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL ADRM1, CYP2E1, OPRD1 ACHE 413/4885SMN1; SMN2 1908/4885LMNA 1596/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 ACHE 435/4885SMN1; SMN2 2417/4885LMNA 1389/4885
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CYP1A1 ACHE 511/4885SMN1; SMN2 2064/4885LMNA 1373/4885
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 ACHE 435/4885SMN1; SMN2 2417/4885LMNA 1389/4885

“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.