SCHEMBL2990415

SCHEMBL2990415

CC#CCOC(=O)N1C2C[CH]CC1CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
CHRM1 P11229 12/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL15139537 0.81 CHRM1 (0.38) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL20942084 0.80 MMP1 (0.35) GRM5MMP1MMP2MMP9MMP12
SCHEMBL1712921 0.80 CHRM1 (0.43) GRM5CHRM1CHRM4CHRM5
SCHEMBL12989009 0.78 CHRM1 (0.35) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL12083920 0.78 CHRM1 (0.41) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL1713220 0.76 KCNK3 (0.39) GRM5CHRM1CHRM2CHRM3CHRM4
SCHEMBL12293532 0.75 CHRM1 (0.35) CHRM1CHRM2CHRM3
SCHEMBL20941849 0.75 MAPK1 (0.41) MMP1MMP2MMP9MMP12CHRM1
SCHEMBL2999610 0.74 RAB9A (0.44) CHRM1
SCHEMBL3000144 0.74 CHRM1 (0.39) GRM5CHRM1CHRM2CHRM3CHRM4

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-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US claimed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP claimed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US claimed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO claimed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 GRM5 65/4885MMP1 4327/4885MMP2 4216/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 GRM5 65/4885MMP1 4327/4885MMP2 4216/4885

“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.