SCHEMBL29990044

SCHEMBL29990044

Cn1ncc2c1Nc1ccc(F)cc1NC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ TSPO P30536 3/20 0.34
▸ HTR5A P47898 4/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AVPR1A P37288 6/20 0.32
▸ OXTR P30559 1/20 0.32

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
SCHEMBL21379060 1.00 CHRM1 (0.34) CHRM1HRH1PAK1TSPOHTR5A
SCHEMBL2629043 0.94 TSPO (0.37) CHRM1HRH1PAK1TSPOHTR5A
SCHEMBL21379004 0.84 TSPO (0.35) TSPOHTR5AAVPR1AOXTR
SCHEMBL21397117 0.83 HTR5A (0.39) CHRM1HRH1PAK1HTR5ANR3C2
SCHEMBL29990699 0.83 TSPO (0.34) CHRM1HRH1TSPOHTR5AAVPR1A
SCHEMBL21379279 0.83 TSPO (0.34) CHRM1HRH1TSPOHTR5AAVPR1A
SCHEMBL21396613 0.83 AVPR1A (0.37) CHRM1TSPOAVPR1AOXTR
SCHEMBL29989621 0.82 PDE3B (0.46) CHRM1HTR5AAVPR1AOXTR
SCHEMBL20267114 0.82 PDE3B (0.46) CHRM1HTR5AAVPR1AOXTR
SCHEMBL1496015 0.81 TSPO (0.48) TSPOHTR5AAVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034142-A1 Therapeutic Compounds and Compositions for Treating Social Disorders and Substance Use Disorders Kinoxis Therapeutics Pty Ltd (AU) 2026-02-05 — — US disclosed
US-12458648-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders KINOXIS THERAPEUTICS PTY LTD. (AU) 2025-11-04 — — US disclosed
US-20240245706-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS Kinoxis Therapeutics Pty Ltd (AU) 2024-07-25 — — US disclosed
US-11890287-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders Kinoxis Therapeutics Pty Ltd (AU) 2024-02-06 — — US disclosed
US-20220362261-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS THE UNIVERSITY OF SYDNEY (AU) 2022-11-17 — — 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 (5 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-20240245706-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 CHRM1 1345/4885HRH1 2522/4885PAK1 2078/4885
US-12458648-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 CHRM1 1345/4885HRH1 2522/4885PAK1 2078/4885
US-11890287-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 CHRM1 1345/4885HRH1 2522/4885PAK1 2078/4885
US-20260034142-A1 Therapeutic Compounds and Compositions for Treating Social Disorders and Substance Use Disorders SLC6A3, SLC6A4, SLC6A1 CHRM1 156/4885HRH1 835/4885PAK1 3730/4885
US-20220362261-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 CHRM1 1345/4885HRH1 2522/4885PAK1 2078/4885

“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.

Send feedback