SCHEMBL20154306

SCHEMBL20154306

CC(C)(CC(C)(C)N1CCC(C(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.41
LYPLA1 O75608 1/20 0.39
LYPLA2 O95372 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2B6 P20813 1/20 0.38
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL409284 0.78 LYPLA1 (0.43) CHRM3CHRM2LYPLA1LYPLA2NPC1
SCHEMBL19934959 0.78 SLC6A9 (0.44) CHRM3CHRM2NPC1RAB9ATAAR1
SCHEMBL24827937 0.77
SCHEMBL24234532 0.74 CHRM3 (0.38) CHRM3CHRM2
SCHEMBL14788270 0.72 HSD11B1 (0.36)
SCHEMBL24851527 0.71 CYP2D6 (0.32)
SCHEMBL11954981 0.67 MBTD1 (0.52) ALDH1A1ATM
SCHEMBL24850533 0.67
SCHEMBL22419367 0.67 CYP2B6 (0.55) CHRM3CHRM2TAAR1CYP2B6
SCHEMBL10236431 0.67 ACHE (0.66) HRH1

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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 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-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 CHRM3 1879/4885CHRM2 2091/4885LYPLA1 1406/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 CHRM3 3124/4885CHRM2 3619/4885LYPLA1 2872/4885

“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.