SCHEMBL195343

SCHEMBL195343

COc1ccc(N2CCC(C(=O)N3Cc4cnn(C)c4Nc4cc(C)ccc43)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.51
MAPT P10636 2/20 0.47
OXTR P30559 3/20 0.43
IDH1 O75874 4/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AVPR2 P30518 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
SCHEMBL195691 0.93 AVPR1A (0.47) AVPR1AOXTRIDH1AVPR2
SCHEMBL195420 0.92 AVPR1A (0.52) AVPR1AMAPTOXTRIDH1AVPR2
SCHEMBL195254 0.91 AVPR1A (0.50) AVPR1AMAPTOXTRIDH1AVPR2
SCHEMBL195798 0.88 AVPR1A (0.49) AVPR1AOXTRIDH1AVPR2
SCHEMBL240317 0.88 AVPR1A (0.43) AVPR1AOXTRIDH1AVPR2
SCHEMBL195924 0.87 AVPR1A (0.43) AVPR1AOXTRIDH1AVPR2
SCHEMBL195714 0.87 AVPR1A (0.48) AVPR1AOXTRIDH1AVPR2
SCHEMBL195801 0.86 AVPR1A (0.45) AVPR1AOXTRIDH1AVPR2
SCHEMBL9983443 0.83 IDH1 (0.43) AVPR1AOXTRIDH1AVPR2
SCHEMBL196446 0.83 AVPR1A (0.41) AVPR1AOXTRIDH1AVPR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP claimed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US claimed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO claimed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 WO claimed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 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 (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-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885MAPT 4852/4885OXTR 7/4885

“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.