SCHEMBL10280588

SCHEMBL10280588

CCC(=O)N1CCc2nc(C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
POLB P06746 3/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23063858 0.84 CYP11B1 (0.43) CYP11B1CYP11B2POLBALDH1A1MAPT
SCHEMBL7941087 0.83 NOTUM (0.51) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL6124247 0.81 IDO1 (0.43) CYP11B1CYP11B2POLBALDH1A1L3MBTL1
SCHEMBL23063848 0.76 USP30 (0.43) CYP11B1CYP11B2POLBRAB9AALDH1A1
SCHEMBL29173113 0.75 KDM1A (0.43) MAPT
SCHEMBL23063856 0.73 MAPT (0.42) CYP11B1CYP11B2RAB9AALDH1A1MAPT
SCHEMBL6127799 0.71 CREBBP (0.40) CYP11B2KDM4ECYP2C9
SCHEMBL6127832 0.70 HTR3E (0.34) RAB9AALDH1A1MAPTHPGDCYP1A2
SCHEMBL5006023 0.68 TSHR (0.75) POLBRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL20733337 0.68 XIAP (0.62) CYP11B1CYP11B2POLBRAB9ALMNA

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 4 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-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

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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP11B1 1738/4885CYP11B2 2376/4885POLB 1880/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP11B1 1562/4885CYP11B2 2172/4885POLB 1448/4885

“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.