SCHEMBL1713664

SCHEMBL1713664

C[C]1CCN(c2cnccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
SORD Q00796 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A7 Q99884 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL7490482 0.81 KDM4E (0.49) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL31014265 0.79 SORD (0.51) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL18228513 0.79 SORD (0.51) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL2320496 0.79 SORD (0.51) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL2074813 0.78 LMNA (0.54) KDM4EL3MBTL1LMNASORDSLC6A7
SCHEMBL30785422 0.78 SORD (0.50) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL2320514 0.78 SORD (0.50) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL468382 0.78 SORD (0.50) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL5024 0.76 SORD (0.49) KDM4EL3MBTL1LMNASORDGPR119
SCHEMBL1266496 0.76 SORD (0.49) KDM4EL3MBTL1LMNASORDGPR119

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 KDM4E 2459/4885L3MBTL1 3891/4885LMNA 3546/4885

“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.