SCHEMBL2182839

SCHEMBL2182839

COC(=O)C(CC1CC1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20828351 0.81 CYP2C19 (0.48) CYP2C19CYP1A2GAAMAPTNPC1
SCHEMBL2182186 0.80 CNR2 (0.36) SLC6A3
SCHEMBL17295745 0.80 RAB9A (0.39) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL12527632 0.80 CYP2C19 (0.46) CYP2C19CYP1A2GAAMAPTNPC1
SCHEMBL1403468 0.78 CYP2C19 (0.55) CYP2C19SMN1; SMN2CYP1A2GAAMAPT
SCHEMBL2182205 0.77 ABL1 (0.37) SMN1; SMN2L3MBTL1
SCHEMBL15496889 0.77 CYP2C19 (0.54) CYP2C19SMN1; SMN2CYP1A2GAAMAPT
SCHEMBL19874404 0.76 RAB9A (0.43) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19874327 0.76 RAB9A (0.45) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17479485 0.75 MEN1 (0.46) CYP2C19SMN1; SMN2CYP1A2GAAKDM4E

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
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 CYP2C19 4369/4885SMN1; SMN2 1335/4885CYP1A2 4099/4885

“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.