SCHEMBL13041544

SCHEMBL13041544

CB(O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
C5AR1 P21730 1/20 0.46
PARK7 Q99497 1/20 0.46
OPRL1 P41146 5/20 0.45
OPRM1 P35372 4/20 0.45
OPRK1 P41145 4/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CCR3 P51677 1/20 0.41
AMPD2 Q01433 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 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
SCHEMBL13041443 0.87 OPRL1 (0.58) C5AR1OPRL1OPRM1OPRK1EGLN1
SCHEMBL14272799 0.82 C5AR1 (0.48) PTGDR2C5AR1OPRL1OPRM1OPRK1
SCHEMBL3737310 0.79 OPRK1 (0.49) PTGDR2C5AR1PARK7OPRL1OPRM1
SCHEMBL13041582 0.77 OPRL1 (0.52) C5AR1OPRL1OPRM1OPRK1EGLN1
SCHEMBL20783509 0.71 DDR1 (0.58) PTGDR2OPRL1
SCHEMBL3141632 0.70 TP53 (0.54) C5AR1OPRL1OPRM1OPRK1EGLN1
SCHEMBL18729423 0.69 OPRL1 (0.61) C5AR1OPRL1OPRM1OPRK1EGLN1
SCHEMBL13041512 0.69 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL13041592 0.69 OPRL1 (0.45) OPRL1OPRM1OPRK1EGLN1
SCHEMBL5578720 0.68 OPRK1 (0.50) C5AR1OPRL1OPRM1OPRK1EGLN1

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 PTGDR2 1/4885C5AR1 122/4885PARK7 4036/4885

“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.