SCHEMBL12086281

SCHEMBL12086281

CCC1CC2CCC(C1)N2C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.34
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30

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
SCHEMBL13080229 0.79 SMN1; SMN2 (0.37) GRM5CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL12293732 0.79 GRM5 (0.36) MAPTGRM5CHRM2CHRM1CHRM3
SCHEMBL12086311 0.76 CHRM2 (0.35) MAPTGRM5GAACHRM2CHRM1
SCHEMBL12988892 0.76 GRM5 (0.35) MAPTGRM5GAACHRM2CHRM1
SCHEMBL24491622 0.74 CHRM2 (0.39) GRM5CHRM2CHRM1CHRM3MEN1
SCHEMBL12086290 0.74 CHRM1 (0.42) GRM5CHRM2CHRM1CHRM3
SCHEMBL12084008 0.74 CHRM2 (0.39) GRM5CHRM2CHRM1CHRM3MEN1
SCHEMBL24491717 0.74 CHRM2 (0.39) GRM5CHRM2CHRM1CHRM3MEN1
SCHEMBL12086312 0.74 CHRM1 (0.48) CHRM2CHRM1CHRM3
SCHEMBL3496579 0.74 MEN1 (0.38) MAPTGRM5GAACHRM2CHRM1

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-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
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-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-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 (3 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-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 MAPT 3180/4885GRM5 91/4885GAA 4413/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MAPT 2337/4885GRM5 56/4885GAA 3044/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 MAPT 3023/4885GRM5 92/4885GAA 4278/4885

“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.