SCHEMBL1713643

SCHEMBL1713643

O=C1[CH]CCN1c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SCN9A Q15858 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 1/20 0.35
SORD Q00796 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A7 Q99884 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
HSP90AA1 P07900 1/20 0.33
P2RX7 Q99572 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL30638502 0.71 GAA (0.43) MAOBKDM4EALDH1A1L3MBTL1HTR1A
SCHEMBL20390820 0.71 GAA (0.43) MAOBKDM4EALDH1A1L3MBTL1HTR1A
SCHEMBL30638528 0.68 OPRM1 (0.41) MAOBKDM4EOPRM1OPRL1SORD
SCHEMBL29865274 0.68 PTGS2 (0.40) MAOBKDM4E
SCHEMBL7620756 0.68 KDM4E (0.40) MAOBKDM4EOPRM1LMNAL3MBTL1
SCHEMBL7620742 0.68 KDM4E (0.40) MAOBKDM4EOPRM1LMNAL3MBTL1
SCHEMBL5767440 0.68 PIM1 (0.44) MAOBKDM4ESCN9AOPRM1OPRL1
SCHEMBL7620750 0.68 KDM4E (0.40) MAOBKDM4EOPRM1LMNAL3MBTL1
SCHEMBL8470423 0.68 CRBN (0.41) MAOBKDM4ESCN9AOPRM1OPRL1
SCHEMBL4344306 0.67 BCHE (0.43) MAOBKDM4ESORDALDH1A1HSP90AA1

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 MAOB 461/4885KDM4E 2459/4885SCN9A 904/4885

“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.