SCHEMBL4714355

SCHEMBL4714355

Cc1nnc(N2CCC(n3cnc4cccnc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE4B Q07343 3/20 0.38
PDE4D Q08499 2/20 0.38
OXTR P30559 4/20 0.38
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL4760978 0.84 AVPR1A (0.47) AVPR1APDE4BPDE4DOXTRTRPA1
SCHEMBL4712455 0.79 AVPR1A (0.44) AVPR1AKCNH2PDE4BPDE4DOXTR
SCHEMBL4713593 0.78 AVPR1A (0.45) AVPR1AKCNH2PDE4BPDE4DOXTR
SCHEMBL5426182 0.75 AVPR1A (0.54) AVPR1AOXTRTRPA1TRPM8DRD2
SCHEMBL5428048 0.75 AVPR1A (0.52) AVPR1AOXTRTRPA1TRPM8DRD2
SCHEMBL5436364 0.75 AVPR1A (0.53) AVPR1ACYP2C9OXTRTRPA1TRPM8
SCHEMBL4790334 0.74 AVPR1A (0.46) AVPR1AKCNH2OXTRTRPA1TRPM8
SCHEMBL4903299 0.74 CCR5 (0.48) AVPR1ACYP2C9OXTRTRPA1TRPM8
SCHEMBL4711858 0.74 AVPR1A (0.44) AVPR1AOXTRTRPA1TRPM8BRD4
SCHEMBL4713503 0.74 AVPR1A (0.45) AVPR1AKCNH2OXTRTRPA1TRPM8

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885SIGMAR1 97/4885CYP2C9 1399/4885

“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.