SCHEMBL15699208

SCHEMBL15699208

CC(C)CN(C)Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.69
CHRNA4 P43681 3/20 0.69
LMNA P02545 2/20 0.50
CHRNA7 P36544 1/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RIPK1 Q13546 1/20 0.46
OPRK1 P41145 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL16625906 0.87 CHRNB2 (0.65) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL10028665 0.85 CHRNB2 (0.85) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL13509698 0.83 CHRNB2 (0.59) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL10570093 0.82 CHRNB2 (0.63) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL6674571 0.82 CHRNB2 (1.00) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL30093157 0.82 CHRNB2 (0.79) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL31044635 0.82 CHRNB2 (1.00) CHRNB2CHRNA4LMNACHRNA7MAPK1
SCHEMBL19750347 0.81 CHRNB2 (0.56) CHRNB2CHRNA4LMNACHRNA7ALDH1A1
SCHEMBL17886000 0.79 CHRNB2 (0.53) CHRNB2CHRNA4LMNACHRNA7ALDH1A1
SCHEMBL21278464 0.79 CHRNB2 (0.73) CHRNB2CHRNA4LMNACHRNA7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 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 (4 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 CHRNB2 3743/4885CHRNA4 3741/4885LMNA 3258/4885
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR CHRNB2 4567/4885CHRNA4 4740/4885LMNA 1301/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B CHRNB2 1167/4885CHRNA4 1497/4885LMNA 2696/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR CHRNB2 4567/4885CHRNA4 4740/4885LMNA 1301/4885

“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.