SCHEMBL195504

SCHEMBL195504

Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.52
AVPR2 P30518 2/20 0.43
OXTR P30559 2/20 0.43
IDH1 O75874 10/20 0.42
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
SCHEMBL195831 0.91 AVPR1A (0.41) AVPR1AAVPR2OXTRIDH1
SCHEMBL238924 0.91 AVPR1A (0.65) AVPR1AAVPR2OXTRIDH1USP2
SCHEMBL9983443 0.91 IDH1 (0.43) AVPR1AAVPR2OXTRIDH1
SCHEMBL196446 0.91 AVPR1A (0.41) AVPR1AAVPR2OXTRIDH1
SCHEMBL196253 0.90 IDH1 (0.52) AVPR1AIDH1
SCHEMBL9983382 0.88 AVPR1A (0.43) AVPR1AAVPR2OXTRUSP2HSD17B10
SCHEMBL195690 0.87 IDH1 (0.43) AVPR1AAVPR2OXTRIDH1
SCHEMBL195691 0.86 AVPR1A (0.47) AVPR1AAVPR2OXTRIDH1
SCHEMBL195712 0.85 AVPR1A (0.46) AVPR1AAVPR2OXTR
SCHEMBL195714 0.85 AVPR1A (0.48) AVPR1AAVPR2OXTRIDH1

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 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.