SCHEMBL1495924

SCHEMBL1495924

CC(C)CN1CCC(C(=O)NCC2CCC(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.46
IDH1 O75874 3/20 0.44
OXTR P30559 8/20 0.43
AVPR2 P30518 3/20 0.42
TSPO P30536 1/20 0.42

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
SCHEMBL1495943 0.91 IDH1 (0.46) AVPR1AIDH1OXTRTSPO
SCHEMBL12832110 0.91 IDH1 (0.48) AVPR1AIDH1OXTRTSPO
SCHEMBL1495998 0.91 IDH1 (0.52) AVPR1AIDH1OXTRAVPR2TSPO
SCHEMBL9965042 0.89 IDH1 (0.47) AVPR1AIDH1OXTRAVPR2TSPO
SCHEMBL1495887 0.89 AVPR1A (0.45) AVPR1AIDH1OXTRTSPO
SCHEMBL2631705 0.87 AVPR1A (0.48) AVPR1AIDH1OXTRAVPR2TSPO
Hydrochloric Acid SCHEMBL1495890 0.86 AVPR1A (0.48) AVPR1AIDH1OXTRAVPR2TSPO
SCHEMBL1496071 0.84 IDH1 (0.50) AVPR1AIDH1OXTRAVPR2TSPO
SCHEMBL2628473 0.82 IDH1 (0.52) AVPR1AIDH1OXTRAVPR2TSPO
SCHEMBL1496052 0.81 AVPR1A (0.39) AVPR1AIDH1OXTRAVPR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (2 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885IDH1 3133/4885OXTR 8/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885IDH1 3133/4885OXTR 8/4885

“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.