SCHEMBL29400942

SCHEMBL29400942

Cc1cccc(C(=O)N2CCC(CN3CCC(CNC(=O)c4cccc5[nH]c(C(C)(C)C)nc45)CC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.58
HTR4 Q13639 15/20 0.58
PARP1 P09874 1/20 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
SCHEMBL828465 1.00 HTR3A (0.58) HTR3AHTR4PARP1
SCHEMBL29401326 0.88 HTR3A (0.59) HTR3AHTR4PARP1
SCHEMBL828636 0.88 HTR3A (0.59) HTR3AHTR4PARP1
SCHEMBL1728203 0.87 HTR3A (0.44) HTR3AHTR4PARP1
SCHEMBL829163 0.86 HTR4 (0.60) HTR3AHTR4PARP1
SCHEMBL29399928 0.86 HTR4 (0.60) HTR3AHTR4PARP1
SCHEMBL829424 0.86 HTR4 (0.76) HTR3AHTR4PARP1
SCHEMBL29397821 0.84 HTR3A (0.65) HTR3AHTR4PARP1
SCHEMBL828472 0.84 HTR3A (0.65) HTR3AHTR4PARP1
SCHEMBL828678 0.84 HTR4 (0.67) HTR3AHTR4PARP1

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-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-09-01 US disclosed
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-22 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-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A HTR3A 18/4885HTR4 1/4885PARP1 1181/4885
US-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR3A 18/4885HTR4 1/4885PARP1 1181/4885

“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.