SCHEMBL23229353

SCHEMBL23229353

CC1(C)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
HRH3 Q9Y5N1 1/20 0.46
CHRM3 P20309 1/20 0.45
KCNH2 Q12809 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 2/20 0.43
OPRM1 P35372 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 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
SCHEMBL4477292 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL2841486 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL21653768 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL23265867 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL2841484 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL20483452 0.82 CHRM2 (0.64) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL3923372 0.80 CHRM2 (0.46) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL4479682 0.80 CHRM2 (0.46) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL4479687 0.80 CHRM2 (0.46) CHRM2CHRM4CHRM5HRH3CHRM3
SCHEMBL2445283 0.79 CHRM2 (0.49) CHRM2CHRM4CHRM5HRH3CHRM3

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-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 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 (2 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 CHRM2 3717/4885CHRM4 3960/4885CHRM5 2194/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 CHRM2 2188/4885CHRM4 2166/4885CHRM5 2622/4885

“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.