SCHEMBL6653754

SCHEMBL6653754

Cc1cc(N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.97
MAPT P10636 14/20 0.69
ALDH1A1 P00352 8/20 0.69
CYP1A2 P05177 4/20 0.69
CYP2C19 P33261 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 2/20 0.67
KMT2A Q03164 2/20 0.66
CYP2C9 P11712 3/20 0.64
CYP3A4 P08684 1/20 0.62
MEN1 O00255 1/20 0.58
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.57
SIRT6 Q8N6T7 1/20 0.54

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
SCHEMBL573146 0.98 HPGD (1.00) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3837554 0.98 HPGD (1.00) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL7050664 0.95 HPGD (0.88) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL170932 0.87 HPGD (0.75) HPGDMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL5202277 0.87 HPGD (0.74) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL27518071 0.87 HPGD (0.74) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL29788558 0.86 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL14419529 0.86 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL443596 0.86 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL1920553 0.86 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
WO-2008097504-A2 USE OF A TRPM5 INHIBITOR TO REGULATE INSULIN AND GLP-1 RELEASE REDPOINT BIO CORPORATION (US) 2008-08-14 WO disclosed
EP-0891765-B1 Oxidative hair dye compositions P & G CLAIROL INC (US) 2004-06-16 EP disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 EP disclosed
US-5851237-A Oxidative hair dye compositions and methods containing 1--(4-aminophenyl) pyrrolidines NOXELL CORPORATION 1998-12-22 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 (4 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HPGD 1121/4885MAPT 4269/4885ALDH1A1 2165/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885MAPT 4269/4885ALDH1A1 2165/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885MAPT 4269/4885ALDH1A1 2165/4885
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 HPGD 2749/4885MAPT 4601/4885ALDH1A1 4573/4885

“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.