SCHEMBL13826421

SCHEMBL13826421

CC(C)NC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 3/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ PRCP P42785 1/20 0.46
▸ C3AR1 Q16581 1/20 0.46
▸ LIPE Q05469 3/20 0.46
▸ OPRK1 P41145 1/20 0.44
▸ SCD O00767 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16002995 0.88 RBP4 (0.55) RBP4SIGMAR1POLBCNR1SYK
SCHEMBL13826657 0.81 MAPK1 (0.56) SIGMAR1C3AR1KDM4EEPHX2ALDH1A1
SCHEMBL16689582 0.79 RBP4 (0.73) RBP4PRCP
SCHEMBL13826434 0.79 SYK (0.46) SYKC3AR1KDM4EALDH1A1
SCHEMBL24011242 0.78 SIGMAR1 (0.46) RBP4SIGMAR1POLBLIPEKDM4E
SCHEMBL16000512 0.77 MEN1 (0.70) SIGMAR1POLBCNR1SYKEPHX2
SCHEMBL8671332 0.76 RBP4 (0.60) RBP4SIGMAR1POLBCNR1PRCP
SCHEMBL27491505 0.76 RBP4 (0.60) RBP4SIGMAR1POLBCNR1PRCP
SCHEMBL4377755 0.76 HRH3 (0.62) RBP4CNR1KDM4EALDH1A1
SCHEMBL24011148 0.75 RAB9A (0.54) SIGMAR1POLBEPHX2ALDH1A1

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-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — US disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 — — 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK RBP4 4832/4885SIGMAR1 2509/4885POLB 1761/4885

“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.

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