SCHEMBL13825973

SCHEMBL13825973

CC(C)NC1CCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
KMT2A Q03164 1/20 0.48
SYK P43405 1/20 0.46
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.45
OPRK1 P41145 4/20 0.44

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
SCHEMBL16002874 0.88 SIGMAR1 (0.54) SIGMAR1KMT2ASYKCA2CA1
SCHEMBL13826054 0.86 SYK (0.47) SIGMAR1SYK
SCHEMBL13826435 0.84 HPGD (0.53) KMT2A
SCHEMBL13826668 0.82 ALDH1A1 (0.50) SIGMAR1
SCHEMBL13826667 0.82 EPHX2 (0.53) SIGMAR1KMT2ASYKOPRK1
SCHEMBL6568665 0.82 KMT2A (0.60) SIGMAR1KMT2ACA2CA1OPRK1
SCHEMBL6567577 0.81 KMT2A (0.58) SIGMAR1KMT2ACA2CA1OPRK1
SCHEMBL16000507 0.81 POLB (0.51) SIGMAR1KMT2ASYKOPRK1
SCHEMBL13825978 0.80 HDAC3 (0.53) SIGMAR1KMT2ASYK
SCHEMBL16000496 0.77 SMN1; SMN2 (0.53) SIGMAR1KMT2ASYK

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 SIGMAR1 2509/4885KMT2A 2649/4885SYK 1/4885

“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.