SCHEMBL1496096

SCHEMBL1496096

CCCCCCNCC1CCC(C(=O)N2Cc3cnn(C)c3Nc3cc(Cl)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.43
AVPR1A P37288 15/20 0.38
OXTR P30559 7/20 0.38
AVPR2 P30518 3/20 0.37
TSPO P30536 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2628459 0.88 IDH1 (0.40) IDH1AVPR1AOXTRAVPR2TSPO
SCHEMBL2629002 0.86 AVPR1A (0.45) IDH1AVPR1AOXTRAVPR2
SCHEMBL1495933 0.84 AVPR1A (0.42) IDH1AVPR1AOXTRTP53
Hydrochloric Acid SCHEMBL1495882 0.83 IDH1 (0.41) IDH1AVPR1AOXTRAVPR2TSPO
SCHEMBL18944288 0.81 DRD2 (0.33) TSPOTP53
SCHEMBL2629001 0.80 IDH1 (0.37) IDH1AVPR1AOXTRAVPR2
SCHEMBL1496072 0.78 AVPR1A (0.43) AVPR1AOXTRAVPR2
SCHEMBL1496011 0.78 AVPR1A (0.41) AVPR1AOXTRAVPR2
SCHEMBL1496276 0.78 AVPR1A (0.41) AVPR1AOXTRAVPR2
SCHEMBL1496007 0.77 AVPR1A (0.42) IDH1AVPR1AOXTRAVPR2TSPO

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 14 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-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
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
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO 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 IDH1 3133/4885AVPR1A 1/4885OXTR 8/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B IDH1 3133/4885AVPR1A 1/4885OXTR 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.