SCHEMBL12084635

SCHEMBL12084635

CN1CC2(CCNc3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
OPRM1 P35372 3/20 0.36
DRD4 P21917 1/20 0.36
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
OPRL1 P41146 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NOTUM Q6P988 1/20 0.32
BACE1 P56817 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KDR P35968 1/20 0.31

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
SCHEMBL23508720 0.85 KDM1A (0.45) KDM1ATNKSTNKS2KDM4EGLA
SCHEMBL12791302 0.82 OPRM1 (0.42) KDM1AOPRM1DRD4TNKSTNKS2
SCHEMBL3934411 0.81 KDM1A (0.55) KDM1AOPRM1TNKSTNKS2KIF11
SCHEMBL397157 0.78 KDM1A (0.51) KDM1AOPRM1TNKSTNKS2MEN1
SCHEMBL15523144 0.78 KDM1A (0.51) KDM1AOPRM1TNKSTNKS2MEN1
SCHEMBL4270096 0.77 TNKS (0.42) KDM1AOPRM1DRD4TNKSTNKS2
SCHEMBL25422577 0.77 KDM1A (0.50) KDM1ATNKSTNKS2MEN1KMT2A
SCHEMBL29384355 0.77 KDM1A (0.50) KDM1ATNKSTNKS2MEN1KMT2A
SCHEMBL13209513 0.74 KDM1A (0.47) KDM1AOPRM1TNKSTNKS2MEN1
SCHEMBL8842935 0.72 KDM1A (0.46) KDM1AOPRM1TNKSTNKS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (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 KDM1A 2615/4885OPRM1 66/4885DRD4 1562/4885
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 KDM1A 2769/4885OPRM1 201/4885DRD4 775/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 KDM1A 2615/4885OPRM1 66/4885DRD4 1562/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885OPRM1 66/4885DRD4 1562/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885OPRM1 66/4885DRD4 1562/4885

“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.