SCHEMBL3539696

SCHEMBL3539696

C=CC(=O)N(C)C1CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.40
JAK3 P52333 2/20 0.38
BTK Q06187 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL24541770 0.90 BTK (0.43) MCHR1JAK3BTKHRH3EGFR
SCHEMBL2660134 0.89 ALDH1A1 (0.41) JAK3
SCHEMBL21565893 0.89 JAK3 (0.36) JAK3BTKEGFR
SCHEMBL3539694 0.83 MCHR1 (0.40) MCHR1HRH3
SCHEMBL3937932 0.80 MCHR1 (0.42) MCHR1HRH3
SCHEMBL21706969 0.79 HRH3 (0.44) MCHR1JAK3BTKHRH3EGFR
SCHEMBL23643707 0.79 JAK3 (0.36) JAK3BTKEGFR
SCHEMBL799469 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL856650 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL8272497 0.78 MCHR1 (0.43) MCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 MCHR1 328/4885JAK3 943/4885BTK 1602/4885

“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.