SCHEMBL240622

SCHEMBL240622

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.42
IDH1 O75874 14/20 0.42
AVPR1A P37288 4/20 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
SCHEMBL195486 0.92 AVPR1A (0.46) MALT1IDH1AVPR1A
SCHEMBL195690 0.90 IDH1 (0.43) IDH1AVPR1A
SCHEMBL9983443 0.87 IDH1 (0.43) IDH1AVPR1A
SCHEMBL195504 0.85 AVPR1A (0.52) IDH1AVPR1A
SCHEMBL195420 0.83 AVPR1A (0.52) IDH1AVPR1A
SCHEMBL195343 0.83 AVPR1A (0.51) IDH1AVPR1A
SCHEMBL240317 0.83 AVPR1A (0.43) IDH1AVPR1A
SCHEMBL195831 0.83 AVPR1A (0.41) IDH1AVPR1A
SCHEMBL241609 0.83 AVPR1A (0.51) MALT1IDH1AVPR1A
SCHEMBL195691 0.82 AVPR1A (0.47) IDH1AVPR1A

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
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
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO disclosed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 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-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS AVPR2, AVPR1A, AVPR1B MALT1 4857/4885IDH1 4436/4885AVPR1A 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.