SCHEMBL8809190

SCHEMBL8809190

CCOC(=O)C1(C)CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 2/20 0.62
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.60
POLB P06746 1/20 0.60
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
OPRM1 P35372 3/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 2/20 0.56
P4HB P07237 1/20 0.56
DRD2 P14416 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
SCHEMBL2817086 0.87 CYP2D6 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL8970760 0.86 KCNA3 (0.63) LMNAALDH1A1L3MBTL1OPRM1OPRD1
SCHEMBL6530831 0.86 CYP2D6 (0.66) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL14081425 0.86 CYP2D6 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4609435 0.85 CYP3A4 (0.65) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL1290759 0.85 CYP3A4 (0.65) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL567928 0.84 KDM4E (0.63) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL567927 0.84 KDM4E (0.63) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16208622 0.84 CYP2D6 (0.61) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL11282136 0.84 OPRM1 (0.80) CYP3A4CYP2D6CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
EP-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
EP-0605031-B1 Phenoxy- and phenoxyalkyl-piperidines as antiviral agents SANOFI SA (FR) 1997-07-16 EP disclosed
US-5364865-A Phenoxy- and phenoxyalkyl-piperidines as antiviral agents STERLING WINTHROP INC. (US) 1994-11-15 US disclosed
EP-0605031-A1 Phenoxy- and phenoxyalkyl-piperidines as antiviral agents STERLING WINTHROP INC. (US) 1994-07-06 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885CYP2D6 1646/4885CYP2C9 2754/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 CYP3A4 37/4885CYP2D6 32/4885CYP2C9 52/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885CYP2D6 1646/4885CYP2C9 2754/4885
US-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 CYP3A4 1151/4885CYP2D6 1013/4885CYP2C9 1602/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885CYP2D6 1646/4885CYP2C9 2754/4885

“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.