SCHEMBL21396613

SCHEMBL21396613

Cn1ncc2c1Nc1ccc(O)cc1NC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 15/20 0.37
▸ TSPO P30536 3/20 0.37
▸ OXTR P30559 2/20 0.37
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL21379004 0.84 TSPO (0.35) AVPR1ATSPOOXTRDRD2DRD4
SCHEMBL29990044 0.83 CHRM1 (0.34) AVPR1ATSPOOXTRCHRM1
SCHEMBL21379060 0.83 CHRM1 (0.34) AVPR1ATSPOOXTRCHRM1
SCHEMBL21379279 0.83 TSPO (0.34) AVPR1ATSPOOXTRDRD2DRD4
SCHEMBL29990699 0.83 TSPO (0.34) AVPR1ATSPOOXTRDRD2DRD4
SCHEMBL20267114 0.82 PDE3B (0.46) AVPR1AOXTRCHRM1
SCHEMBL29989621 0.82 PDE3B (0.46) AVPR1AOXTRCHRM1
SCHEMBL1496015 0.81 TSPO (0.48) AVPR1ATSPOOXTR
Hydrochloric Acid SCHEMBL25255088 0.80 TSPO (0.47) AVPR1ATSPOOXTR
SCHEMBL1495917 0.79 TSPO (0.37) AVPR1ATSPOOXTRDRD2DRD4

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-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders Kinoxis Therapeutics Pty Ltd (AU) 2021-06-15 — — US disclosed
US-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS Kinoxis Therapeutics Pty Ltd (AU) 2019-09-26 — — 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 (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-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 AVPR1A 550/4885TSPO 1520/4885OXTR 149/4885
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 AVPR1A 550/4885TSPO 1520/4885OXTR 149/4885

“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.

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