SCHEMBL6011634

SCHEMBL6011634

Clc1cc(Cl)cc(CCSCCc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
IDO1 P14902 3/20 0.41
DAO P14920 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
TAAR1 Q96RJ0 3/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
PNMT P11086 1/20 0.34
CNR1 P21554 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL5977021 0.86 IDO1 (0.35) TSHRIDO1DAOCYP1A2CYP2D6
SCHEMBL1646153 0.84 TSHR (0.42) TSHRIDO1DAOTAAR1CYP3A4
SCHEMBL16235640 0.81 DAO (0.35) TSHRIDO1DAOCNR1LMNA
SCHEMBL2355446 0.80 TSHR (0.57) TSHRIDO1DAOTAAR1CYP3A4
SCHEMBL6011476 0.78 TAAR1 (0.63) IDO1DAOTAAR1CYP3A4PNMT
SCHEMBL6011725 0.74 IDO1 (0.39) IDO1CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL6011707 0.74 IDO1 (0.55) IDO1CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL30342498 0.72 TSHR (0.47) TSHRIDO1DAOCYP1A2CYP2C19
SCHEMBL5980447 0.72 PNMT (0.35) TSHRIDO1DAOTAAR1PNMT
SCHEMBL2249765 0.70 TSHR (0.44) TSHRIDO1DAOTAAR1CYP3A4

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 TSHR 2113/4885IDO1 529/4885DAO 1294/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A TSHR 2320/4885IDO1 723/4885DAO 1022/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TSHR 1891/4885IDO1 911/4885DAO 1551/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TSHR 3044/4885IDO1 391/4885DAO 1657/4885

“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.