SCHEMBL12928366

SCHEMBL12928366

CC(=O)N(C)[C@@H]1CC2(CCN(C[C@H]3C[C@H]4CC[C@H]3C4)CC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
OPRK1 P41145 2/20 0.39
HSD11B1 P28845 3/20 0.38
HSD11B2 P80365 2/20 0.38
MCHR2 Q969V1 9/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 2/20 0.35
SLC6A4 P31645 2/20 0.35
OPRD1 P41143 1/20 0.33
CCR5 P51681 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL3548492 1.00 OPRM1 (0.39) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL3548489 1.00 OPRM1 (0.39) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL12928349 1.00 OPRM1 (0.39) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL15339906 1.00 OPRM1 (0.39) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL12084560 1.00 OPRM1 (0.39) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL13641131 0.95 HSD11B1 (0.36) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL12084332 0.90 OPRM1 (0.37) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL15339915 0.90 OPRM1 (0.37) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL12928773 0.90 OPRM1 (0.37) OPRM1OPRL1OPRK1HSD11B1HSD11B2
SCHEMBL12928365 0.88 KCNH2 (0.36) OPRM1OPRL1OPRK1HSD11B1HSD11B2

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 7 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-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 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-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 OPRM1 66/4885OPRL1 69/4885OPRK1 114/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 OPRM1 66/4885OPRL1 69/4885OPRK1 114/4885

“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.