SCHEMBL2446102

SCHEMBL2446102

CC(c1ccccc1)N(C(=O)O[C@@H](C)c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ALOX5 P09917 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
MTOR P42345 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN2B Q13224 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
OPRM1 P35372 3/20 0.39
KMT2A Q03164 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
SCHEMBL9774475 1.00 HCAR2 (0.51) HCAR2ALOX5TRPM8MTORALDH1A1
SCHEMBL4707913 1.00 HCAR2 (0.51) HCAR2ALOX5TRPM8MTORALDH1A1
SCHEMBL20847151 0.87 HCAR2 (0.53) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL12436367 0.81 HCAR2 (0.54) HCAR2ALOX5MTORALDH1A1TP53
SCHEMBL10838224 0.80 HCAR2 (0.53) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL9728263 0.79 HCAR2 (0.51) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL26222316 0.77 HCAR2 (0.50) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL20846878 0.77 HCAR2 (0.50) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL3625234 0.77 HCAR2 (0.61) HCAR2ALOX5ALDH1A1TP53HSD17B10
SCHEMBL3786370 0.77 HCAR2 (0.61) HCAR2ALOX5ALDH1A1TP53HSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914590-B1 NOVEL ROCK INHIBITORS PH PHARMA CO LTD (KR) 2016-11-30 EP disclosed
US-9394286-B2 Rock inhibitors AMAKEM NV (BE) 2016-07-19 US disclosed
US-9174939-B2 Soft rock inhibitors AMAKEM NV (BE) 2015-11-03 US disclosed
US-20150299173-A1 NOVEL ROCK INHIBTORS AMAKEM NV (BE) 2015-10-22 US disclosed
EP-2914590-A1 NOVEL ROCK INHIBITORS Amakem NV (BE) 2015-09-09 EP disclosed
US-9126933-B2 Soft PDE4 inhibitors AMAKEM NV (BE) 2015-09-08 US disclosed
US-9079858-B2 Rock kinase inhibitors AMAKEM NV (BE) 2015-07-14 US disclosed
US-9073905-B2 Rock inhibitors AMAKEM NV (BE) 2015-07-07 US disclosed
US-9067889-B2 Biphenylcarboxamides as ROCK kinase inhibitors AMAKEM NV (BE) 2015-06-30 US disclosed
US-20140371268-A1 BIPHENYLCARBOXAMIDES AS ROCK KINASE INHIBITORS AMAKEM NV (BE) 2014-12-18 US disclosed
WO-2013004709-A1 INDOLYLMALEIMIDES AS SOFT PAN-PKC INHIBITORS AMAKEM NV (BE) 2013-01-10 WO disclosed
EP-2542528-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS Amakem NV (BE) 2013-01-09 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
WO-2012156467-A1 NOVEL PKC INHIBITORS AMAKEM NV (BE) 2012-11-22 WO disclosed
WO-2012146724-A2 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2012-11-01 WO disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 WO disclosed
US-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 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 (7 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-20140371268-A1 BIPHENYLCARBOXAMIDES AS ROCK KINASE INHIBITORS ROCK2, ROCK1, CIT HCAR2 1050/4885ALOX5 1036/4885TRPM8 3919/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HCAR2 1529/4885ALOX5 3947/4885TRPM8 2870/4885
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HCAR2 896/4885ALOX5 4220/4885TRPM8 2139/4885
US-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 HCAR2 731/4885ALOX5 4189/4885TRPM8 3428/4885
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT HCAR2 790/4885ALOX5 584/4885TRPM8 4306/4885
US-20150299173-A1 NOVEL ROCK INHIBTORS ROCK1, ROCK2, CIT HCAR2 1618/4885ALOX5 1944/4885TRPM8 3813/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HCAR2 896/4885ALOX5 4220/4885TRPM8 2139/4885

“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.