SCHEMBL9965042

SCHEMBL9965042

Cn1ncc2c1Nc1ccccc1N(C(=O)C1CCC(CNC(=O)C3CCN(Cl)CC3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.47
AVPR1A P37288 14/20 0.46
TSPO P30536 2/20 0.45
OXTR P30559 6/20 0.44
AVPR2 P30518 2/20 0.43

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
SCHEMBL1495998 0.94 IDH1 (0.52) IDH1AVPR1ATSPOOXTRAVPR2
SCHEMBL1495943 0.91 IDH1 (0.46) IDH1AVPR1ATSPOOXTR
SCHEMBL12832110 0.91 IDH1 (0.48) IDH1AVPR1ATSPOOXTR
SCHEMBL2631705 0.90 AVPR1A (0.48) IDH1AVPR1ATSPOOXTRAVPR2
Hydrochloric Acid SCHEMBL1495890 0.89 AVPR1A (0.48) IDH1AVPR1ATSPOOXTRAVPR2
SCHEMBL1495924 0.89 AVPR1A (0.46) IDH1AVPR1ATSPOOXTRAVPR2
SCHEMBL1495887 0.88 AVPR1A (0.45) IDH1AVPR1ATSPOOXTR
SCHEMBL2628473 0.86 IDH1 (0.52) IDH1AVPR1ATSPOOXTRAVPR2
SCHEMBL1495930 0.84 AVPR1A (0.40) IDH1AVPR1ATSPOOXTRAVPR2
SCHEMBL1496007 0.83 AVPR1A (0.42) IDH1AVPR1ATSPOOXTRAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US 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-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B IDH1 3133/4885AVPR1A 1/4885TSPO 1733/4885

“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.