SCHEMBL12293333

SCHEMBL12293333

CC1CC2CCC(C1)N2C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
CHRM1 P11229 4/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX1 P07099 2/20 0.36
BCHE P06276 1/20 0.36
NAAA Q02083 2/20 0.34
PREP P48147 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12199014 0.96 GPR119 (0.46) GPR119CHRM1CHRM2CHRM3EPHX1
SCHEMBL16281291 0.83 GPR119 (0.38) GPR119CHRM1CHRM2CHRM3EPHX1
SCHEMBL12086347 0.81 EPHX1 (0.40) GPR119CHRM1CHRM2CHRM3EPHX1
SCHEMBL12084009 0.81 CHRM1 (0.45) GPR119CHRM1CHRM2CHRM3EPHX1
SCHEMBL12988783 0.81 GPR119 (0.38) GPR119CHRM1CHRM2CHRM3EPHX1
SCHEMBL31512330 0.79 NAAA (0.41) GPR119EPHX1BCHENAAACYP19A1
SCHEMBL31512334 0.79 NAAA (0.41) GPR119EPHX1BCHENAAACYP19A1
SCHEMBL31512362 0.79 NAAA (0.41) GPR119EPHX1BCHENAAACYP19A1
SCHEMBL31512354 0.79 NAAA (0.41) GPR119EPHX1BCHENAAACYP19A1
SCHEMBL13034559 0.79 JAK3 (0.38) GPR119CHRM1CHRM2CHRM3

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 3 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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
EP-2364705-A2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 GPR119 77/4885CHRM1 6/4885CHRM2 3/4885

“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.