SCHEMBL29400996

SCHEMBL29400996

CC(C)(C)c1nc2c(C(=O)NCC3CCNCC3)cccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.62
HTR4 Q13639 8/20 0.62
PARP1 P09874 2/20 0.56
PBK Q96KB5 2/20 0.50
CHRM1 P11229 5/20 0.49
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRM5 P08912 1/20 0.47
EP300 Q09472 1/20 0.46

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
SCHEMBL829207 1.00 HTR3A (0.62) HTR3AHTR4PARP1PBKCHRM1
SCHEMBL828472 0.92 HTR3A (0.65) HTR3AHTR4PARP1
SCHEMBL29397821 0.92 HTR3A (0.65) HTR3AHTR4PARP1
SCHEMBL4244377 0.84 PBK (0.53) HTR3AHTR4PARP1PBKCHRM1
SCHEMBL828936 0.83 HTR4 (0.68) HTR3AHTR4PARP1PBKCHRM1
SCHEMBL29397140 0.83 HTR4 (0.68) HTR3AHTR4PARP1PBKCHRM1
SCHEMBL828769 0.83 HTR3A (0.62) HTR3AHTR4PARP1
SCHEMBL4244372 0.82 PARP1 (0.62) PARP1PBKCHRM1
SCHEMBL829424 0.80 HTR4 (0.76) HTR3AHTR4PARP1
Trifluoroacetic Acid SCHEMBL829123 0.79 HTR4 (0.61) HTR3AHTR4PARP1PBKCHRM1

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.