SCHEMBL6102012

SCHEMBL6102012

O=Cc1cc(Br)ccc1N1CCC(CO)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
PDE10A Q9Y233 1/20 0.37
PTPN1 P18031 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
OPRK1 P41145 2/20 0.35
PTGES O14684 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TYMP P19971 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGER4 P35408 1/20 0.33
PPARG P37231 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
JAK3 P52333 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
SCHEMBL17700319 0.82 PTPN1 (0.39) ERN1PDE10APTPN1PTGDR2PTGES
SCHEMBL6103441 0.82 OPRK1 (0.39) ERN1PTGDR2OPRK1ALDH1A1
SCHEMBL6103929 0.82 ERN1 (0.44) ERN1PTGDR2OPRK1ALDH1A1PPARG
SCHEMBL6104216 0.81 OPRK1 (0.46) PTGDR2OPRK1ALDH1A1
SCHEMBL6103096 0.79 ERN1 (0.40) ERN1OPRK1ALDH1A1
SCHEMBL6104069 0.78 OPRK1 (0.58) PDE10AOPRK1
SCHEMBL18064888 0.77 PDE10A (0.41) PDE10APTPN1OPRK1PTGER4
SCHEMBL6104617 0.76 CDC7 (0.38) ERN1PTGDR2OPRK1ALDH1A1LIPG
SCHEMBL2427274 0.76 PIM1 (0.45) ERN1
SCHEMBL2427272 0.76 PIM1 (0.45) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 ERN1 1319/4885PDE10A 3133/4885PTPN1 203/4885

“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.