SCHEMBL1711539

SCHEMBL1711539

CCC(c1ccccc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
KCNA5 P22460 2/20 0.53
DPP4 P27487 1/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 2/20 0.47
MC4R P32245 3/20 0.46
HIF1A Q16665 1/20 0.46
GRM5 P41594 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL2962625 0.87 OPRM1 (0.65) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL11989937 0.86 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL30364119 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL8916036 0.83 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL1964502 0.83 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL30363975 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12295763 0.83 ACHE (0.53) CYP3A4TSHRALDH1A1CYP2C19CYP2D6
SCHEMBL11651599 0.82 OPRL1 (0.58) OPRL1KCNA5DPP4CYP3A4TSHR
SCHEMBL20746267 0.82 DPP4 (0.64) KCNA5DPP4CYP3A4TSHRALDH1A1
SCHEMBL856294 0.82 DPP4 (0.64) KCNA5DPP4CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 US disclosed
US-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 US disclosed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP disclosed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 US disclosed
US-8476269-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2013-07-02 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
EP-2344492-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-07-20 EP disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
WO-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 WO disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO disclosed
US-6326387-B1 NEUROTROPIC COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2001-12-04 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 (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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 OPRM1 646/4885OPRD1 377/4885OPRK1 496/4885
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 OPRM1 4468/4885OPRD1 3936/4885OPRK1 2274/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885

“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.