SCHEMBL30045906

SCHEMBL30045906

Cn1ncc2c1Nc1ccccc1N(C(=O)C1CCCCC1)C2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.62
TSPO P30536 3/20 0.57
AVPR1A P37288 10/20 0.52
OXTR P30559 4/20 0.52
AVPR2 P30518 3/20 0.52

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
SCHEMBL20276907 1.00 IDH1 (0.62) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL26565761 1.00 IDH1 (0.62) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL20277553 0.99 IDH1 (0.60) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL30046512 0.99 IDH1 (0.60) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL30045597 0.94 IDH1 (0.57) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL20277508 0.94 IDH1 (0.57) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL20277224 0.90 IDH1 (0.64) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL30045647 0.90 IDH1 (0.64) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL26565887 0.90 AVPR1A (0.54) IDH1TSPOAVPR1AOXTRAVPR2
SCHEMBL4318816 0.89 IDH1 (0.53) IDH1TSPOAVPR1AOXTRAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491165-B2 Non-peptide oxytocin receptor agonists Kinoxis Therapeutics Pty Ltd (AU) 2022-11-08 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-11491165-B2 Non-peptide oxytocin receptor agonists OXTR, AVPR1B, AVPR1A IDH1 4620/4885TSPO 478/4885AVPR1A 3/4885

“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.