SCHEMBL3536308

SCHEMBL3536308

c1ccc([C@@H]2CCCCN2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRNA7 P36544 2/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
AURKA O14965 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
CHRM5 P08912 3/20 0.39
CHRM3 P20309 3/20 0.39

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
SCHEMBL1784909 1.00 CHRNB2 (0.51) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL29459388 1.00 CHRNB2 (0.51) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL31287191 1.00 CHRNB2 (0.51) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL3163175 1.00 CHRNB2 (0.51) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL19855209 0.98 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL21167132 0.98 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL3163066 0.98 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL3926825 0.95 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL29977611 0.95 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL20707 0.95 CHRNB2 (0.50) CHRNB2CHRNA4MEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278009-A Novel chiral pyridine-containing multidentate nitrogen ligand, palladium complex, and preparation method and application thereof 中山大学新华学院 2021-08-20 CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 CHRNB2 2906/4885CHRNA4 3273/4885MEN1 702/4885

“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.