SCHEMBL17886000

SCHEMBL17886000

CC(C)CN(Cc1cccnc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
RIPK1 Q13546 1/20 0.46
LMNA P02545 1/20 0.44
CHRNA7 P36544 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13949622 0.87 CHRNB2 (0.63) CHRNB2CHRNA4RIPK1LMNACHRNA7
SCHEMBL17282122 0.82 CHRNB2 (0.64) CHRNB2CHRNA4RIPK1CHRNA7ALDH1A1
SCHEMBL6354990 0.80 RAB9A (0.45) CHRNB2CHRNA4RIPK1LMNAALDH1A1
SCHEMBL17886005 0.80 AOC3 (0.44) RIPK1LMNAALDH1A1L3MBTL1
SCHEMBL15699208 0.79 CHRNB2 (0.69) CHRNB2CHRNA4RIPK1LMNACHRNA7
SCHEMBL17886929 0.78 CHRNB2 (0.53) CHRNB2CHRNA4RIPK1LMNACHRNA7
SCHEMBL19750347 0.78 CHRNB2 (0.56) CHRNB2CHRNA4RIPK1LMNACHRNA7
SCHEMBL14350222 0.76 CHRNB2 (0.50) CHRNB2CHRNA4RIPK1CHRNA7ALDH1A1
SCHEMBL12779113 0.75 CHRNB2 (0.67) CHRNB2CHRNA4RIPK1LMNACHRNA7
SCHEMBL17886001 0.75 PKM (0.55) CHRNB2CHRNA4RIPK1LMNACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 CHRNB2 3743/4885CHRNA4 3741/4885RIPK1 141/4885

“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.