SCHEMBL6011476

SCHEMBL6011476

Clc1cccc(CCSCCc2cccc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
PNMT P11086 2/20 0.56
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
AOC3 Q16853 1/20 0.53
IDO1 P14902 3/20 0.50
CYP3A4 P08684 2/20 0.50
AGXT P21549 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
C3AR1 Q16581 1/20 0.47
DAO P14920 1/20 0.46

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
SCHEMBL1647140 0.86 TAAR1 (0.63) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL12050856 0.85 TAAR1 (0.74) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL21726756 0.83 TAAR1 (0.59) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL5241228 0.81 TAAR1 (0.68) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL27650757 0.79 TAAR1 (0.55) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL23071686 0.79 TAAR1 (0.65) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL31567921 0.79 TAAR1 (0.65) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL3084324 0.79 TAAR1 (0.65) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL31366769 0.79 IDO1 (0.58) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL6011634 0.78 TSHR (0.42) TAAR1PNMTIDO1CYP3A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C TAAR1 2608/4885PNMT 1967/4885HTR3E 794/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A TAAR1 3047/4885PNMT 1664/4885HTR3E 706/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TAAR1 2844/4885PNMT 1287/4885HTR3E 1387/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TAAR1 1531/4885PNMT 1942/4885HTR3E 1553/4885

“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.