SCHEMBL1556843

SCHEMBL1556843

CCCCC[CH]NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
GMNN O75496 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
APEX1 P27695 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
EP300 Q09472 1/20 0.38
ASAH1 Q13510 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1555372 0.94 TSHR (0.41) CNR1GMNNUSP2CYP1A2POLB
SCHEMBL1556242 0.85 CYP3A4 (0.33) CYP1A2POLBCYP2C9CYP2C19CYP3A4
SCHEMBL420349 0.82 EPHX1 (0.52) CYP1A2BLMHSD17B10MAPT
SCHEMBL1556988 0.78 L3MBTL1 (0.36) CYP1A2POLBRECQLASAH1CNR2
SCHEMBL1556426 0.77 EP300 (0.42) GMNNUSP2CYP1A2POLBCYP2C9
SCHEMBL7708913 0.76 EPHX1 (0.48) CYP1A2POLBBLMHSD17B10MAPT
SCHEMBL10744068 0.76 CTSK (0.40) CNR1CNR2
SCHEMBL9800734 0.75 EP300 (0.50) GMNNUSP2CYP1A2POLBCYP2C9
SCHEMBL1415923 0.75 FAAH (0.48) CNR1GMNNUSP2CYP1A2POLB
SCHEMBL1556892 0.75 PPARG (0.42) CNR1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
EP-2308828-A2 CaSR antagonist Japan Tobacco Inc. (JP) 2011-04-13 EP disclosed
EP-2189439-A2 CaSR antagonist Japan Tobacco, Inc. (JP) 2010-05-26 EP disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
EP-1619180-B1 CaSR ANTAGONIST JAPAN TOBACCO INC (JP) 2009-12-16 EP disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 US disclosed
US-7304174-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-12-04 US disclosed
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 EP disclosed
EP-1619180-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-01-25 EP disclosed
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis JAPAN TOBACCO INC. 2005-02-10 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (5 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL CNR1 79/4885GMNN 4792/4885USP2 3867/4885
US-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL CNR1 55/4885GMNN 4829/4885USP2 3979/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL CNR1 79/4885GMNN 4792/4885USP2 3867/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL CNR1 79/4885GMNN 4792/4885USP2 3867/4885
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis CASR, CALCR, GRK2 CNR1 291/4885GMNN 4307/4885USP2 4413/4885

“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.