SCHEMBL21020102

SCHEMBL21020102

CCC1CN(c2ccc(C#N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
HRH3 Q9Y5N1 7/20 0.51
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GRM2 Q14416 1/20 0.44
MEN1 O00255 5/20 0.43
HTR7 P34969 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
ELANE P08246 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL10243310 0.83 CHRNA10 (0.56) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL31753332 0.82 HRH3 (0.48) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL28601340 0.82 HRH3 (0.43) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL21888452 0.80 HRH3 (0.44) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL19570981 0.79 HRH3 (0.55) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL20046913 0.77 HRH3 (0.43) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL19571344 0.77 HRH3 (0.44) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL7374751 0.76 KDM4E (0.52) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL31720517 0.76 KDM4E (0.52) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL23261764 0.75 HRH3 (0.51) CHRNA10CHRNA9HRH3KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-23 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-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, GDI2, GNAQ CHRNA10 2084/4885CHRNA9 2491/4885HRH3 307/4885

“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.