SCHEMBL195486

SCHEMBL195486

COc1cccnc1N1CCC(C(=O)N2Cc3cnn(C)c3Nc3cc(Cl)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.46
MALT1 Q9UDY8 6/20 0.46
RBP4 P02753 1/20 0.42
IDH1 O75874 8/20 0.42

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
SCHEMBL240622 0.92 MALT1 (0.42) AVPR1AMALT1IDH1
SCHEMBL241609 0.90 AVPR1A (0.51) AVPR1AMALT1IDH1
SCHEMBL9983340 0.87 AVPR1A (0.51) AVPR1AIDH1
SCHEMBL238924 0.85 AVPR1A (0.65) AVPR1AMALT1IDH1
SCHEMBL195120 0.83 AVPR1A (0.51) AVPR1AIDH1
SCHEMBL195254 0.83 AVPR1A (0.50) AVPR1AIDH1
SCHEMBL240194 0.82 AVPR1A (0.45) AVPR1AIDH1
SCHEMBL195690 0.82 IDH1 (0.43) AVPR1AIDH1
SCHEMBL9982773 0.81 AVPR1A (0.51) AVPR1AIDH1
SCHEMBL195508 0.81 AVPR1A (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US claimed
EP-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP disclosed
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 2/4885MALT1 4857/4885RBP4 3307/4885

“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.