SCHEMBL12086284

SCHEMBL12086284

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
CHRM1 P11229 15/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13060209 0.86 CHRM1 (0.40) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL12086312 0.85 CHRM1 (0.48) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL23866240 0.84 CHRM1 (0.54) RAB9ACHRM1CHRM2CHRM3GPR119
SCHEMBL21456719 0.84 CHRM1 (0.54) RAB9ACHRM1CHRM2CHRM3GPR119
SCHEMBL15139540 0.84 RAB9A (0.44) RAB9ACHRM1CHRM2CHRM3GPR119
SCHEMBL12988993 0.83 RAB9A (0.43) RAB9ACHRM1CHRM2CHRM3GPR119
SCHEMBL12086282 0.81 CHRM1 (0.39) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL12086370 0.81 CHRM1 (0.39) CHRM1CHRM2CHRM3GPR119CHRM4
SCHEMBL12083967 0.80 CHRM1 (0.43) RAB9ACHRM1CHRM2CHRM3GPR119
SCHEMBL13644099 0.80 CHRM1 (0.40) RAB9ACHRM1CHRM2CHRM3GPR119

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 8 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-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-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 (4 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 RAB9A 2617/4885CHRM1 9/4885CHRM2 2/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 RAB9A 1944/4885CHRM1 6/4885CHRM2 3/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 RAB9A 1944/4885CHRM1 6/4885CHRM2 3/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 RAB9A 2657/4885CHRM1 6/4885CHRM2 2/4885

“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.