SCHEMBL2993374

SCHEMBL2993374

CCCON=C1CC[CH]CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1747873 0.83 CHRM3 (0.31)
SCHEMBL7540680 0.78 CHRM2 (0.36) CHRM2CHRM1
SCHEMBL14922373 0.75 CHRM2 (0.34) CHRM2CHRM1
SCHEMBL12949128 0.73 CHRM2 (0.40) CHRM2CHRM1
SCHEMBL3343615 0.71
SCHEMBL24680 0.70
SCHEMBL20381741 0.69 ALDH1A1 (0.42) CHRM2CHRM1SMN1; SMN2
SCHEMBL3281966 0.69 CHRM2 (0.36) CHRM2CHRM1
SCHEMBL17187558 0.69 CHRM2 (0.36) CHRM2CHRM1
SCHEMBL17187563 0.69

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 CHRM2 4/4885CHRM1 5/4885MAPK1 3109/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 CHRM2 4/4885CHRM1 5/4885MAPK1 3109/4885

“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.