SCHEMBL1713159

SCHEMBL1713159

O=C(OCC(F)F)N1C2C[CH]CC1CC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
CHRM1 P11229 8/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31
HTR2C P28335 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL2999610 0.83 RAB9A (0.44) CHRM1TSHRMEN1POLBKMT2A
SCHEMBL1712921 0.79 CHRM1 (0.43) CHRM1CHRM5CHRM4
SCHEMBL12198759 0.79 CHRM1 (0.39) HCRTR2CHRM1CHRM2CHRM5CHRM3
SCHEMBL2995198 0.78 SLC6A3 (0.34) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL12988771 0.76 CHRM1 (0.37) HCRTR2CHRM1CYP2D6CYP1A2TSHR
SCHEMBL13060209 0.76 CHRM1 (0.40) HCRTR2CHRM1CHRM2CHRM5CHRM3
SCHEMBL12199273 0.75 CHRM1 (0.42) HCRTR2CHRM1CYP2D6CHRM2CHRM5
SCHEMBL1713220 0.75 KCNK3 (0.39) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3000144 0.73 CHRM1 (0.39) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL2989012 0.72 SMN1; SMN2 (0.43) CYP2D6CYP2C9CYP1A2TSHRCYP2C19

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US claimed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP 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
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO 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-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP 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
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO 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 (3 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 HCRTR2 138/4885CHRM1 5/4885CYP2D6 1312/4885
US-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 HCRTR2 100/4885CHRM1 5/4885CYP2D6 1013/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 HCRTR2 138/4885CHRM1 5/4885CYP2D6 1312/4885

“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.