SCHEMBL13041582

SCHEMBL13041582

CB(O)N1CCCC2(C1)C(=O)N(Cc1ccccc1)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
EGLN1 Q9GZT9 1/20 0.51
C5AR1 P21730 1/20 0.48
ALDH1A1 P00352 7/20 0.47
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 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
SCHEMBL13041443 0.89 OPRL1 (0.58) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL13041584 0.82 OPRL1 (0.57) OPRL1OPRM1OPRK1
SCHEMBL13041544 0.77 PTGDR2 (0.49) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL3735215 0.76 OPRL1 (0.48) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL14272799 0.74 C5AR1 (0.48) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL18729423 0.73 OPRL1 (0.61) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL20989214 0.72 OPRL1 (0.69) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL3178585 0.71 OPRL1 (0.59) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL14595434 0.71 P2RX1 (0.57) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL13041583 0.71 HTR1A (0.47) OPRL1OPRM1OPRK1MEN1KMT2A

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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 OPRL1 233/4885OPRM1 610/4885OPRK1 407/4885

“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.