SCHEMBL2995198

SCHEMBL2995198

O=C(OCCF)N1C2C[CH]CC1CC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.34
CHRM1 P11229 8/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL1713220 0.83 KCNK3 (0.39) CHRM1KCNK3KCNK9CHRM4CHRM5
SCHEMBL1712921 0.80 CHRM1 (0.43) CHRM1CHRM4CHRM5
SCHEMBL2989012 0.80 SMN1; SMN2 (0.43)
SCHEMBL1712982 0.79 MEN1 (0.35) CHRM1
SCHEMBL20942086 0.78 SLC6A3 (0.33) SLC6A3CHRM1SLC6A2SLC6A4CHRM2
SCHEMBL1713159 0.78 HCRTR2 (0.32) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL12198958 0.78 CHRM1 (0.39) SLC6A3CHRM1CHRM4CHRM5CHRM2
SCHEMBL13058790 0.76 CHRM1 (0.38) SLC6A3CHRM1SLC6A2SLC6A4CHRM4
SCHEMBL3000144 0.75 CHRM1 (0.39) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL2999610 0.75 RAB9A (0.44) CHRM1

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 SLC6A3 1057/4885CHRM1 5/4885SLC6A2 772/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 SLC6A3 1057/4885CHRM1 5/4885SLC6A2 772/4885

“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.