SCHEMBL1978558

SCHEMBL1978558

CC(CC(C)(C)C)C(N)CNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31

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
SCHEMBL2717316 0.79 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL203297 0.79 CYP2D6 (0.46) CYP2D6CYP2C19
SCHEMBL20956354 0.76 CYP2D6 (0.58) CYP2D6CYP2C19ANPEPDNPEP
SCHEMBL3367592 0.76 CYP2D6 (0.58) CYP2D6CYP2C19ANPEPDNPEP
SCHEMBL3367600 0.76 CYP2D6 (0.58) CYP2D6CYP2C19ANPEPDNPEP
SCHEMBL28032278 0.72 CYP2D6 (0.48) CYP2D6CYP2C19
SCHEMBL14158926 0.72 CYP2D6 (0.48) CYP2D6CYP2C19
SCHEMBL856065 0.71
SCHEMBL842714 0.71
SCHEMBL4528459 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
EP-2336122-A1 1-pyrimidinyl- or 1-pyridinyl-2-amino benzimidazole derivatives and related compounds as inhibitors of protein kinases for the treatment of cancer Vertex Pharmaceuticals Incorporated (US) 2011-06-22 EP 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 (3 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CYP2D6 2767/4885CYP2C19 732/4885ANPEP 2830/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CYP2D6 2767/4885CYP2C19 732/4885ANPEP 2830/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CYP2D6 2767/4885CYP2C19 732/4885ANPEP 2830/4885

“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.