SCHEMBL1713339

SCHEMBL1713339

CN(C)C(=O)N1CCC2(CCN(C3CCNCC3)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.43
MERTK Q12866 3/20 0.43
CYP2D6 P10635 2/20 0.43
CSNK1D P48730 2/20 0.43
HSD11B1 P28845 1/20 0.40
NOTUM Q6P988 2/20 0.40
KDM1A O60341 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL14426306 0.92 NOTUM (0.47) AXLMERTKCYP2D6CSNK1DNOTUM
SCHEMBL12315892 0.87 NOTUM (0.51) AXLMERTKCYP2D6CSNK1DHSD11B1
SCHEMBL12316015 0.87 NOTUM (0.46) HSD11B1NOTUMKDM1A
SCHEMBL12316031 0.86 HSD11B1 (0.39) AXLMERTKCYP2D6CSNK1DHSD11B1
SCHEMBL12459986 0.84 OPRL1 (0.46) AXLMERTKCSNK1DHSD11B1NOTUM
SCHEMBL13203952 0.84 NOTUM (0.43) HSD11B1NOTUMSLC18A3SIGMAR1
SCHEMBL12315863 0.83 HSD11B1 (0.41) HSD11B1NOTUMKDM1A
SCHEMBL12316020 0.83 KDM1A (0.50) HSD11B1KDM1A
SCHEMBL13203975 0.83 NOTUM (0.42) AXLMERTKCYP2D6CSNK1DHSD11B1
SCHEMBL12315864 0.81 CHRM1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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 (1 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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 AXL 1690/4885MERTK 670/4885CYP2D6 1013/4885

“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.