SCHEMBL239211

SCHEMBL239211

CCn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCN(c3cccc(C)n3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.47
AVPR2 P30518 4/20 0.38
OXTR P30559 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.36
IDH1 O75874 7/20 0.36
KCNH2 Q12809 1/20 0.33
LCAT P04180 1/20 0.33

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
SCHEMBL238609 0.90 AVPR1A (0.49) AVPR1AAVPR2OXTRMAPTKDM4E
SCHEMBL195799 0.87 AVPR1A (0.47) AVPR1AAVPR2IDH1KCNH2
SCHEMBL243038 0.86 AVPR1A (0.49) AVPR1AAVPR2MAPTKDM4ELMNA
SCHEMBL195558 0.84 AVPR1A (0.49) AVPR1AIDH1
SCHEMBL9983382 0.81 AVPR1A (0.43) AVPR1AAVPR2OXTRKDM4E
SCHEMBL238924 0.78 AVPR1A (0.65) AVPR1AAVPR2OXTRLMNAIDH1
SCHEMBL242536 0.77 IDH1 (0.47) AVPR1AIDH1
SCHEMBL195835 0.76 AVPR1A (0.45) AVPR1AAVPR2OXTRMAPTLMNA
SCHEMBL244113 0.76 AVPR1A (0.49) AVPR1AAVPR2OXTRIDH1KCNH2
SCHEMBL9982773 0.75 AVPR1A (0.51) AVPR1AAVPR2OXTRGPBAR1IDH1

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 1/4885OXTR 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.