SCHEMBL4685446

SCHEMBL4685446

OCc1ccc2c(c1)CN(c1nnc(Cn3nccn3)n1-c1ccc(Cl)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
NOTUM Q6P988 2/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
KCNH2 Q12809 1/20 0.32
AVPR1A P37288 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SYK P43405 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
SCHEMBL4619490 0.86 TRPA1 (0.39) DRD4KDM4EMAPTUSP2TSHR
SCHEMBL4618452 0.80 BRD4 (0.40) DRD2DRD4DRD3KDM4EMAPT
SCHEMBL4681115 0.79 TRPA1 (0.32) KDM4EMAPTUSP2TSHRTRPA1
SCHEMBL4887345 0.78 TIPARP (0.36) DRD2DRD4DRD3KDM4EMAPT
SCHEMBL4740390 0.77 TRPA1 (0.30) AVPR1ATRPA1TRPM8
SCHEMBL4884416 0.77 USP2 (0.35) USP2TSHRKCNH2AVPR1ATRPA1
SCHEMBL4685389 0.75 AVPR1A (0.38) DRD2DRD4DRD3KDM4EMAPT
SCHEMBL4876933 0.75 AVPR2 (0.33) USP2KCNH2AVPR1ATRPA1TRPM8
SCHEMBL4624366 0.74 TRPA1 (0.34) KDM4EMAPTUSP2TSHRAVPR1A
SCHEMBL4622389 0.73 TRPA1 (0.38) DRD2DRD4DRD3KDM4EMAPT

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 7 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
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO 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 DRD2 516/4885DRD4 877/4885DRD3 465/4885

“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.