SCHEMBL1269458

SCHEMBL1269458

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.61
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61
LTA4H P09960 1/20 0.60
OPRL1 P41146 1/20 0.57
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
MC4R P32245 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL4293243 0.90 DRD2 (0.55) CYP2D6DRD2DRD4DRD3LTA4H
SCHEMBL14716240 0.87 CYP2D6 (0.63) CYP2D6DRD2DRD4DRD3LTA4H
SCHEMBL14081425 0.84 CYP2D6 (0.56) CYP2D6DRD2DRD4DRD3OPRL1
SCHEMBL15505949 0.84 HDAC1 (0.58) CYP2D6DRD2DRD4DRD3LTA4H
SCHEMBL3566447 0.84 SLC6A3 (0.54) CYP2D6CHRM2SIGMAR1TSHRMEN1
SCHEMBL8809190 0.82 CYP3A4 (0.66) CYP2D6DRD2DRD4DRD3CHRM2
SCHEMBL13556689 0.81 CYP2D6 (0.60) CYP2D6CYP3A4HSD17B10ALDH1A1TSHR
SCHEMBL1991966 0.81 CYP2D6 (0.59) CYP2D6DRD2DRD4DRD3OPRL1
SCHEMBL1147211 0.81 OPRL1 (0.63) CYP2D6OPRL1CHRM2CHRM3CYP3A4
SCHEMBL2158292 0.81 DRD2 (0.53) CYP2D6DRD2DRD4DRD3OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263490-B Substituted triazolopyridines and methods of use 基因泰克公司 2018-05-22 CN disclosed
CN-105263490-A Substituted triazolopyridines and methods of use GENENTECH INC 2016-01-20 CN disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
CN-101031296-A Modulators of muscarinic receptors VERTEX PHARMA (US) 2007-09-05 CN disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1781288-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-05-09 EP disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
US-20060079505-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS, INCORPORATED (US) 2006-04-13 US disclosed
WO-2006023852-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2006-03-02 WO 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-20060079505-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP2D6 1646/4885DRD2 757/4885DRD4 1562/4885
US-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 CYP2D6 1646/4885DRD2 757/4885DRD4 1562/4885
US-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP2D6 1646/4885DRD2 757/4885DRD4 1562/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP2D6 1646/4885DRD2 757/4885DRD4 1562/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CYP2D6 1135/4885DRD2 491/4885DRD4 940/4885

“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.