SCHEMBL195799

SCHEMBL195799

CCn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCN(c3ccc(C)cn3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.47
TACR3 P29371 12/20 0.41
IDH1 O75874 3/20 0.37
AVPR2 P30518 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL242536 0.91 IDH1 (0.47) AVPR1ATACR3IDH1
SCHEMBL243038 0.90 AVPR1A (0.49) AVPR1ATACR3IDH1AVPR2KCNH2
SCHEMBL244113 0.90 AVPR1A (0.49) AVPR1ATACR3IDH1AVPR2KCNH2
SCHEMBL239211 0.87 AVPR1A (0.47) AVPR1AIDH1AVPR2KCNH2
SCHEMBL195566 0.86 AVPR1A (0.50) AVPR1ATACR3IDH1AVPR2KCNH2
SCHEMBL195558 0.84 AVPR1A (0.49) AVPR1AIDH1
SCHEMBL196446 0.82 AVPR1A (0.41) AVPR1ATACR3IDH1AVPR2
SCHEMBL9982773 0.79 AVPR1A (0.51) AVPR1AIDH1AVPR2KCNH2
SCHEMBL195801 0.78 AVPR1A (0.45) AVPR1AIDH1AVPR2
SCHEMBL238924 0.78 AVPR1A (0.65) AVPR1AIDH1AVPR2KCNH2

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 2/4885TACR3 309/4885IDH1 4436/4885

“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.