SCHEMBL5480653

SCHEMBL5480653

CC(C)(C)OC(=O)CN1C2CCC1CC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.40
PLA2G5 P39877 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PREP P48147 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
SCHEMBL24249167 0.94 MAPK1 (0.44) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL1010815 0.83 BRD4 (0.39) KDM4EALDH1A1OPRL1MAPK1KMT2A
SCHEMBL3645840 0.80 GSK3A (0.45) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL24995528 0.80 CHRM2 (0.39) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL24874911 0.79 PLA2G10 (0.36) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL25065577 0.79 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1MAPK1
SCHEMBL7319111 0.77 MAPK1 (0.47) CHRM2CHRM1CHRM3KDM4EALDH1A1
SCHEMBL24995604 0.76 KMT2A (0.41) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL7647959 0.74 SMN1; SMN2 (0.38) OPRM1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL24874876 0.74 KMT2A (0.36) PLA2G10PLA2G5CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-06-14 US disclosed
EP-1682141-A1 4-FLUORO-4-(PYRIDIN-2-YL)-PIPERIDINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LTD. (GB) 2006-07-26 EP disclosed
WO-2005051390-A1 E-FLUORO-4-(PYRIDIN-2-YL)-PIPERIDINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-06-09 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-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain OPRL1, HVCN1, TRPV1 PLA2G10 3234/4885PLA2G5 2688/4885CHRM2 276/4885

“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.