SCHEMBL4884416

SCHEMBL4884416

Clc1ccc(-n2c(Cn3nccn3)nnc2N2Cc3cncnc3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.35
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 1/20 0.31
CNR1 P21554 2/20 0.31
OXTR P30559 2/20 0.31
AVPR1A P37288 2/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
KCNH2 Q12809 1/20 0.30
AVPR2 P30518 1/20 0.30

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
SCHEMBL4882039 0.91 USP2 (0.33) USP2CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4887345 0.86 TIPARP (0.36) USP2CYP1A2CYP3A4HSD17B10OXTR
SCHEMBL4882883 0.86 USP2 (0.33) USP2CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4876933 0.85 AVPR2 (0.33) USP2CYP1A2CYP3A4OXTRAVPR1A
SCHEMBL4619490 0.83 TRPA1 (0.39) USP2CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4881580 0.82 HSD17B10 (0.35) USP2CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4740390 0.81 TRPA1 (0.30) CNR1OXTRAVPR1ACNR2TRPA1
SCHEMBL4881588 0.77 MAPK1 (0.33) USP2CYP1A2CYP3A4HSD17B10CYP2C9
SCHEMBL4685446 0.77 DRD2 (0.35) USP2AVPR1ATSHRTRPA1TRPM8
SCHEMBL4619486 0.74 PDK2 (0.32) USP2AVPR1ATSHRTRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO 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 (1 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 USP2 4648/4885CYP1A2 552/4885CYP3A4 533/4885

“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.