SCHEMBL4711275

SCHEMBL4711275

Cc1nnc(N2CCC(n3c(=O)n(C)c4ccccc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
CTSS P25774 9/20 0.45
AVPR1A P37288 3/20 0.43
CYP3A4 P08684 1/20 0.41
OXTR P30559 2/20 0.41
HSD11B1 P28845 1/20 0.41
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
C5AR1 P21730 2/20 0.40

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
SCHEMBL4711335 0.82 OPRM1 (0.58) DRD2SLC6A4CYP3A4DRD1
SCHEMBL4903299 0.81 CCR5 (0.48) AVPR1ACYP3A4OXTR
SCHEMBL4713988 0.79 AVPR1A (0.42) AVPR1ACYP3A4OXTR
SCHEMBL4711858 0.77 AVPR1A (0.44) AVPR1ACYP3A4OXTR
SCHEMBL4711541 0.76 DRD2 (0.58) DRD2SLC6A4CTSSHSD11B1
SCHEMBL4897490 0.76 OPRM1 (0.52) DRD2SLC6A4CTSS
SCHEMBL4713565 0.75 USP30 (0.47) AVPR1ACYP3A4OXTR
SCHEMBL4713593 0.75 AVPR1A (0.45) DRD2SLC6A4AVPR1AOXTR
SCHEMBL4712455 0.74 AVPR1A (0.44) AVPR1AOXTR
SCHEMBL5155966 0.74 AVPR1A (0.48) AVPR1AOXTR

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US claimed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP claimed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO claimed
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

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 DRD2 353/4885SLC6A4 1149/4885CTSS 1766/4885

“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.