SCHEMBL6011649

SCHEMBL6011649

Clc1ccc(CCSCCc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
IDO1 P14902 6/20 0.54
HTT P42858 2/20 0.46
ACLY P53396 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.42

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
SCHEMBL13799438 0.90 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1648141 0.87 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL11621292 0.84 IDO1 (0.65) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL14534844 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL4863737 0.77 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL7020135 0.77 IDO1 (0.58) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL29587149 0.77 IDO1 (0.58) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL398220 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL2766402 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1779915 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19

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 CYP1A2 26/4885CYP3A4 68/4885CYP2C9 31/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CYP1A2 31/4885CYP3A4 71/4885CYP2C9 33/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CYP1A2 8/4885CYP3A4 15/4885CYP2C9 10/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CYP1A2 14/4885CYP3A4 40/4885CYP2C9 44/4885

“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.