SCHEMBL4620669

SCHEMBL4620669

Cc1nnc(N2CCC3(CC2)OC(=O)c2ccccc23)n1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.52
NPY5R Q15761 10/20 0.50
SIGMAR1 Q99720 1/20 0.46
HSD11B1 P28845 2/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4679051 0.80 TNKS (0.43) AVPR1ANPY5RCYP2D6
SCHEMBL4621110 0.80 AVPR1A (0.41) AVPR1ACYP2D6
SCHEMBL4621637 0.80 AVPR1A (0.50) AVPR1A
SCHEMBL8256600 0.80 TRPA1 (0.38) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL4621149 0.75 SIGMAR1 (0.45) AVPR1ASIGMAR1HSD11B1CYP2D6
SCHEMBL2359488 0.75 NPY5R (0.48) AVPR1ANPY5R
SCHEMBL4643814 0.72 BRD4 (0.50) AVPR1ACYP2D6
SCHEMBL316202 0.72 TRPA1 (0.41) AVPR1ACYP2D6
SCHEMBL315782 0.72 CNR1 (0.54) AVPR1A
SCHEMBL314945 0.71 OPRM1 (0.47) AVPR1A

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-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

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 AVPR1A 1/4885NPY5R 193/4885SIGMAR1 9/4885

“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.