SCHEMBL13701283

SCHEMBL13701283

COc1cccc(C(O)C2CCNCC2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.55
HTR2B P41595 5/20 0.55
DRD1 P21728 4/20 0.55
HRH1 P35367 4/20 0.55
ADRA1B P35368 3/20 0.55
DRD2 P14416 2/20 0.55
ADRA2B P18089 1/20 0.55
HTR2A P28223 1/20 0.55
OPRK1 P41145 1/20 0.55
KCNQ1 P51787 1/20 0.55
KCNH2 Q12809 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SLC6A4 P31645 5/20 0.44
DRD4 P21917 3/20 0.44
HRH2 P25021 3/20 0.44
HTR1D P28221 3/20 0.44
HTR1B P28222 3/20 0.44
HTR7 P34969 3/20 0.44
HTR6 P50406 2/20 0.44
ADRA2C P18825 2/20 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
SCHEMBL4225398 1.00 HTR2C (0.55) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL3048141 1.00 HTR2C (0.55) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL3048145 1.00 HTR2C (0.55) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL18306406 0.87 HTR2B (0.58) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL27741056 0.79 HTR2B (0.69) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL6989780 0.78 SLC6A2 (0.46) HTR2CKCNH2SLC6A4HTR7SLC6A2
SCHEMBL13701284 0.78 HTR2B (0.58) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL4610694 0.76 CHRM2 (0.49) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL4610480 0.76 CHRM2 (0.49) HTR2CHTR2BDRD1HRH1ADRA1B
SCHEMBL11361173 0.76 HTR2C (0.43) HTR2CSLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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
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
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
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

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

For each of this compound's patents that has machine-readable text (4 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA HTR2C 2906/4885HTR2B 2111/4885DRD1 4037/4885
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL ADRM1, CYP2E1, OPRD1 HTR2C 1279/4885HTR2B 1333/4885DRD1 41/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA HTR2C 2906/4885HTR2B 2111/4885DRD1 4037/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 HTR2C 1273/4885HTR2B 1312/4885DRD1 40/4885

“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.