SCHEMBL2994340

SCHEMBL2994340

CN(Cc1ccc(Oc2ccc(C(N)=O)cn2)c2ccccc12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
OPRK1 P41145 8/20 0.40
OPRM1 P35372 7/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NNMT P40261 2/20 0.39
OPRD1 P41143 3/20 0.39
JAK3 P52333 2/20 0.39
CHEK1 O14757 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
MAP2K2 P36507 1/20 0.39

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
SCHEMBL2994920 0.85 BCHE (0.47) OPRK1OPRM1OPRD1BCHEACHE
SCHEMBL14026727 0.81 OPRK1 (0.44) OPRK1OPRM1NNMTOPRD1ROCK1
SCHEMBL14026652 0.80 NNMT (0.50) OPRK1OPRM1MAPTLMNANNMT
SCHEMBL2994336 0.80 OPRK1 (0.46) OPRK1OPRM1NNMTOPRD1ROCK1
SCHEMBL2991647 0.79 NNMT (0.40) OPRK1OPRM1NNMTOPRD1ROCK1
SCHEMBL2992004 0.79 ALDH1A1 (0.44) ALDH1A1OPRK1OPRM1NNMTOPRD1
SCHEMBL14026648 0.78 OPRM1 (0.48) OPRK1OPRM1MAPTLMNANNMT
SCHEMBL2984124 0.78 OPRM1 (0.45) OPRK1OPRM1OPRD1ROCK1BCHE
SCHEMBL2995343 0.78 OPRK1 (0.42) OPRK1OPRM1OPRD1ROCK1HRH3
SCHEMBL2990236 0.77 OPRM1 (0.48) ALDH1A1OPRK1OPRM1MAPTLMNA

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-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 ALDH1A1 891/4885OPRK1 2/4885OPRM1 1/4885

“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.