SCHEMBL1713618

SCHEMBL1713618

C#CCCOC(=O)N1CC[CH]CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 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
SCHEMBL2980367 0.82 CYP1A2 (0.42) SMN1; SMN2POLBLMNAGAATSHR
SCHEMBL8311646 0.78 PTGDR2 (0.37) P2RY12MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8313778 0.78 GAA (0.42) P2RY12MEN1KMT2ASMN1; SMN2POLB
SCHEMBL13035354 0.77 GAA (0.45) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL1713157 0.77 POLB (0.49) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL27908187 0.77 POLB (0.38) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL1713386 0.75 SMN1; SMN2 (0.40) P2RY12SMN1; SMN2POLBLMNATSHR
SCHEMBL12086348 0.74 GAA (0.46) SMN1; SMN2POLBLMNAGAATSHR
SCHEMBL574934 0.74 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL293394 0.74 TSHR (0.57) MEN1KMT2ASMN1; SMN2POLBLMNA

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 9 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
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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-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
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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 (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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 P2RY12 316/4885MEN1 1264/4885KMT2A 2268/4885

“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.