SCHEMBL3296530

SCHEMBL3296530

OCc1cncnc1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
NOTUM Q6P988 5/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 7/20 0.40
USP2 O75604 6/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 6/20 0.39
CYP2C19 P33261 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 4/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CYP19A1 P11511 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL14874683 0.83 CYP1A2 (0.40) CYP1A2USP2CYP3A4CYP2C19HSD17B10
SCHEMBL14741947 0.82 KMO (0.44) NPSR1MAP4K4EGFRFRKMAPK9
SCHEMBL14874681 0.79 KMT2A (0.56) NPSR1KMT2ACYP1A2USP2CYP3A4
SCHEMBL28280894 0.78 NPSR1 (0.56) NPSR1KMT2ACYP1A2USP2TSHR
SCHEMBL4049174 0.75 TRPV1 (0.47) NOTUMMAPK1ALDH1A1KDM4E
SCHEMBL4624996 0.75 NOTUM (0.49) NOTUMKMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL3296527 0.73 DPP4 (0.46) KMT2ACYP1A2USP2TSHRCYP3A4
SCHEMBL3311451 0.73 CYP1A2 (0.43) NPSR1KMT2ACYP1A2USP2TSHR
SCHEMBL10628766 0.71 NOTUM (0.45) NOTUMCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3820660 0.71 RPS6KA3 (0.44) NOTUMALDH1A1HPGDKDM4E

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-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 NPSR1 1896/4885NOTUM 3330/4885KMT2A 2635/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 NPSR1 1896/4885NOTUM 3330/4885KMT2A 2635/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 NPSR1 270/4885NOTUM 1412/4885KMT2A 2807/4885

“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.