SCHEMBL5472913

SCHEMBL5472913

COC1(c2ccccn2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
POLB P06746 1/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
TSHR P16473 4/20 0.46
CYP2D6 P10635 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1181843 0.85 GPR119 (0.54) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL2224318 0.84 GPR119 (0.53) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL6888743 0.84 GPR119 (0.53) GPR119POLBOPRD1OPRK1TSHR
Potassium Ion SCHEMBL2590846 0.83 GPR119 (0.50) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL5740735 0.83 HSD17B10 (0.45) OPRD1OPRK1TSHRCYP2D6HSD17B10
SCHEMBL2589377 0.83 GPR119 (0.52) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL8347288 0.83 GPR119 (0.52) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL5472801 0.82 GPR119 (0.51) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL8353022 0.82 GPR119 (0.51) GPR119POLBOPRD1OPRK1TSHR
SCHEMBL20492867 0.82 GPR119 (0.51) GPR119POLBOPRD1OPRK1TSHR

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 1 patent. 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

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 GPR119 1500/4885POLB 4785/4885OPRD1 4/4885

“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.