SCHEMBL3739308

SCHEMBL3739308

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.50
GAA P10253 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CNR1 P21554 1/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
C5AR1 P21730 1/20 0.41
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL3735041 0.93 OPRL1 (0.55) OPRL1GAAEGLN1CNR1ALDH1A1
SCHEMBL3747001 0.89 OPRL1 (0.65) OPRL1GAAOPRM1OPRK1
SCHEMBL3736827 0.84 KMT2A (0.51) OPRL1EGLN1ALDH1A1L3MBTL1C5AR1
SCHEMBL3730232 0.83 HSD11B1 (0.50) OPRL1GAAEGLN1
SCHEMBL3729068 0.83 OPRL1 (0.54) OPRL1GAAEGLN1CYP2D6ALDH1A1
SCHEMBL3738860 0.82 OPRL1 (0.52) OPRL1GAAEGLN1ALDH1A1SMN1; SMN2
SCHEMBL3733515 0.82 OPRL1 (0.54) OPRL1GAAEGLN1ALDH1A1CYP3A4
SCHEMBL3742691 0.82 EGLN1 (0.47) OPRL1EGLN1CYP2D6ALDH1A1L3MBTL1
SCHEMBL3727227 0.82 OPRL1 (0.70) OPRL1OPRM1OPRK1
SCHEMBL3742780 0.77 OPRL1 (0.53) OPRL1EGLN1CNR1OPRM1OPRK1

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 3 patents. 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
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
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 233/4885GAA 4147/4885EGLN1 811/4885

“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.