Sugi Predict

Sugi Predict / Compounds / SCHEMBL6750648

SCHEMBL6750648

SCHEMBL6750648

CN(C)CCn1ncc2c[c]ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ KCNH2 Q12809 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ EGFR P00533 7/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KMO O15229 3/20 0.35
▸ HTR2A P28223 3/20 0.34
▸ HTR2C P28335 3/20 0.34
▸ HTR2B P41595 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ GLS O94925 1/20 0.31

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
SCHEMBL6755443 0.91 KCNH2 (0.41) CYP1A2KCNH2MCHR1EGFRCNR1
SCHEMBL3483616 0.82 CYP1A2 (0.45) CYP1A2CNR1CNR2KMOHTR2A
SCHEMBL3483368 0.80 CYP1A2 (0.42) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL17610869 0.79 CYP1A2 (0.43) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL30839555 0.79 CYP1A2 (0.57) CYP1A2KCNH2MCHR1EGFRKMO
SCHEMBL3482763 0.79 CYP1A2 (0.45) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL27243721 0.79 CYP1A2 (0.45) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL3192376 0.78 CYP1A2 (0.42) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL3187768 0.78 MAOB (0.44) CYP1A2KMOHTR2AHTR2CHTR2B
SCHEMBL27244212 0.78 CYP1A2 (0.51) CYP1A2KMOHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 — — US claimed
CN-116600810-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 — — CN claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — US claimed
CN-116600810-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 — — CN disclosed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US disclosed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — 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-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CYP1A2 733/4885KCNH2 1089/4885MCHR1 3650/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 CYP1A2 183/4885KCNH2 1680/4885MCHR1 113/4885

“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.