SCHEMBL2916758

SCHEMBL2916758

CC(=O)Nc1cccc(C2CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
ALDH1A1 P00352 2/20 0.49
DPP4 P27487 1/20 0.47
PREP P48147 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
GHSR Q92847 2/20 0.44
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL10311097 0.81 CHRNB2 (0.46) KCNA5ALDH1A1CYP1A2POLBCHRNB2
SCHEMBL4098389 0.77 HTR2C (0.54) ALDH1A1HSD17B10CYP1A2CHRNB2CHRNA4
SCHEMBL24233882 0.77 MEN1 (0.50) KCNA5CYP1A2POLBCHRNB2CHRNA7
Hydrochloric Acid SCHEMBL3337152 0.76 HTR2C (0.55) ALDH1A1HSD17B10CYP1A2CHRNB2CHRNA4
SCHEMBL839470 0.75 PRMT5 (0.45) ALDH1A1POLBRAB9ACHRNB2CHRNA7
SCHEMBL10311104 0.75 PRMT5 (0.45) ALDH1A1POLBRAB9ACHRNB2CHRNA7
SCHEMBL25098486 0.74 OPRM1 (0.44) CYP1A2POLBCHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL10277298 0.74 PRMT5 (0.45) ALDH1A1DPP4CHRNB2CHRNA7CHRNA4
SCHEMBL25039511 0.74 SETD2 (0.57) KCNA5RAB9A
SCHEMBL24726533 0.74 KMO (0.58) ALDH1A1HSD17B10CYP1A2POLBCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
EP-2110370-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-09-01 EP disclosed
EP-1348686-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-2110370-A1 Method of producing p-hydroxyphenylalkanols Sumitomo Chemical Company, Limited (JP) 2009-10-21 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-6717020-B2 HIGH YIELD REACTION OF PHENOLS AND UNSATURATED ALCOHOLS IN PRESENCE OF SUCH AS TITANIUM TETRAETHOXIDE AND SODIUM METHOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-06 US disclosed
US-20030195379-A1 Method of producing p-Hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-16 US disclosed
EP-1348686-A1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-01 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 (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-20030195379-A1 Method of producing p-Hydroxyphenylalkanols ADH1C, NR1H3, ADH5 KCNA5 728/4885ALDH1A1 135/4885DPP4 4760/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 KCNA5 1032/4885ALDH1A1 3804/4885DPP4 154/4885

“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.