SCHEMBL6124247

SCHEMBL6124247

CCC(=O)N1CCc2nc(C(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.43
KCNH2 Q12809 5/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
POLB P06746 4/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL22158281 0.84 IDO1 (0.43) IDO1KCNH2CYP3A4CYP2C9
SCHEMBL6124236 0.84 NOTUM (0.44) IDO1KCNH2CYP11B1CYP11B2CYP3A4
SCHEMBL23063858 0.83 CYP11B1 (0.43) CYP11B1CYP11B2POLBTP53MAPT
SCHEMBL10280588 0.81 CYP11B1 (0.45) CYP11B1CYP11B2POLBTP53MAPT
SCHEMBL6124262 0.73 IDO1 (0.49) IDO1KCNH2CYP3A4CYP2C9
SCHEMBL23063848 0.73 USP30 (0.43) CYP11B1CYP11B2POLBTP53MAPT
SCHEMBL6124268 0.72 IDO1 (0.34) IDO1KCNH2CYP3A4CYP2C9
SCHEMBL23063856 0.70 MAPT (0.42) CYP11B1CYP11B2TP53MAPTCYP2C9
SCHEMBL6124234 0.70 CYP11B1 (0.39) IDO1KCNH2CYP11B1CYP11B2POLB
SCHEMBL22104629 0.68 XIAP (0.64) CYP11B1CYP11B2POLBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 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 (4 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 4504/4885KCNH2 4241/4885CYP11B1 1738/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 4402/4885KCNH2 4062/4885CYP11B1 1688/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 3823/4885KCNH2 4131/4885CYP11B1 1562/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 4405/4885KCNH2 4023/4885CYP11B1 3116/4885

“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.