SCHEMBL6176949

SCHEMBL6176949

c1cc(C2CCCN2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA7 P36544 2/20 0.47
CHRM2 P08172 5/20 0.43
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM4 P08173 4/20 0.43
CHRM1 P11229 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
LTA4H P09960 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
SCHEMBL6176951 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRM2CHRM5
SCHEMBL7012875 0.94 MEN1 (0.49) CHRNB2CHRNA4CHRNA7CHRM2CHRM5
SCHEMBL9362322 0.93 MEN1 (0.47) CHRNB2CHRNA4CHRNA7CHRM2CHRM5
SCHEMBL3014722 0.76 PARP1 (0.31) POLBSMN1; SMN2
SCHEMBL3871908 0.76 CYP19A1 (0.33) POLBSMN1; SMN2
SCHEMBL27320198 0.72 DRD2 (0.45) CYP2D6
SCHEMBL7513415 0.72 ADORA2B (0.33)
SCHEMBL167264 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRM2CHRM5
SCHEMBL21232 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRM2CHRM5
SCHEMBL170704 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504448-A Synthesis method of 3',4',5' -trifluoro-2-aminobiphenyl 河北八亿时空药业有限公司 2025-02-25 CN claimed
CN-119504448-A Synthesis method of 3',4',5' -trifluoro-2-aminobiphenyl 河北八亿时空药业有限公司 2025-02-25 CN disclosed
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine DALHOUSIE UNIVERSITY (CA) 2021-11-02 US disclosed
US-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE DALHOUSIE UNIVERSITY (CA) 2020-08-13 US disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO 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 (3 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-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE C1R, C5, C1S CHRNB2 2141/4885CHRNA4 2235/4885CHRNA7 1917/4885
US-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD CHRNB2 4639/4885CHRNA4 4688/4885CHRNA7 4691/4885
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine C1R, C5, C1S CHRNB2 2141/4885CHRNA4 2235/4885CHRNA7 1917/4885

“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.