SCHEMBL15218142

SCHEMBL15218142

CC(=O)N1CCC2CN(C(C)C)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
HRH3 Q9Y5N1 7/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 2/20 0.39
CNR2 P34972 1/20 0.37
EPHX2 P34913 4/20 0.36
PIK3CD O00329 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33

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
SCHEMBL21287989 0.93 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL25565489 0.84 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4HRH3KCNH2
SCHEMBL24870374 0.84 PIK3CD (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL24870383 0.83 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL22317563 0.80 HRH3 (0.35) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL24309126 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL27380463 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL25075396 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL16132848 0.79 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4HRH3
SCHEMBL22301689 0.79 CNR2 (0.30) CNR2

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
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 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-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CHRNB2 4567/4885CHRNA3 4158/4885CHRNA4 4336/4885

“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.