SCHEMBL2129774

SCHEMBL2129774

Cc1cc(CNC(=O)C2CC2)ccc1C(=O)N1Cc2cnn(C)c2Nc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.48
OXTR P30559 12/20 0.45
AVPR2 P30518 7/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2131749 0.93 AVPR1A (0.49) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2130859 0.92 AVPR1A (0.44) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2134411 0.92 AVPR1A (0.49) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2131383 0.92 AVPR1A (0.43) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129199 0.91 AVPR1A (0.43) AVPR1AOXTRAVPR2CHRM2CHRM4
Cyclopropane SCHEMBL18917219 0.90 AVPR1A (0.50) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2134168 0.88 AVPR1A (0.51) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2130314 0.86 AVPR1A (0.64) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2131648 0.86 AVPR1A (0.45) AVPR1AOXTRAVPR2LMNA
SCHEMBL2628987 0.86 AVPR1A (0.44) AVPR1AOXTRAVPR2CHRM2CHRM4

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
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US claimed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US claimed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US claimed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP claimed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US 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 (2 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 8/4885AVPR2 2/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 8/4885AVPR2 2/4885

“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.