SCHEMBL238924

SCHEMBL238924

Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCN(c3ccccn3)CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.65
AVPR2 P30518 6/20 0.47
KCNH2 Q12809 4/20 0.47
IDH1 O75874 3/20 0.41
OXTR P30559 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL195504 0.91 AVPR1A (0.52) AVPR1AAVPR2IDH1OXTRUSP2
SCHEMBL9983340 0.91 AVPR1A (0.51) AVPR1AAVPR2IDH1OXTR
SCHEMBL196253 0.90 IDH1 (0.52) AVPR1AIDH1
SCHEMBL9982773 0.89 AVPR1A (0.51) AVPR1AAVPR2KCNH2IDH1OXTR
SCHEMBL244113 0.88 AVPR1A (0.49) AVPR1AAVPR2KCNH2IDH1OXTR
SCHEMBL238609 0.88 AVPR1A (0.49) AVPR1AAVPR2OXTRLMNA
SCHEMBL241609 0.87 AVPR1A (0.51) AVPR1AAVPR2IDH1OXTRMALT1
SCHEMBL195508 0.86 AVPR1A (0.46) AVPR1AAVPR2OXTR
SCHEMBL195486 0.85 AVPR1A (0.46) AVPR1AIDH1MALT1
SCHEMBL240194 0.84 AVPR1A (0.45) AVPR1AAVPR2IDH1OXTR

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 8 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
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 AVPR1A 2/4885AVPR2 1/4885KCNH2 306/4885

“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.