SCHEMBL3735041

SCHEMBL3735041

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.55
HTT P42858 1/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
CNR1 P21554 1/20 0.44
CACNA1B Q00975 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL3739308 0.93 OPRL1 (0.50) OPRL1ALDH1A1GAAPKMCNR1
SCHEMBL3727227 0.89 OPRL1 (0.70) OPRL1
SCHEMBL3738860 0.83 OPRL1 (0.52) OPRL1LMNAALDH1A1GAAPKM
SCHEMBL3736827 0.83 KMT2A (0.51) OPRL1LMNAALDH1A1PKMEGLN1
SCHEMBL3730232 0.82 HSD11B1 (0.50) OPRL1LMNAGAAEGLN1
SCHEMBL3747001 0.82 OPRL1 (0.65) OPRL1GAA
SCHEMBL3729068 0.81 OPRL1 (0.54) OPRL1ALDH1A1USP2GAAHSD17B10
SCHEMBL3733515 0.81 OPRL1 (0.54) OPRL1HTTLMNAALDH1A1GAA
SCHEMBL3742691 0.81 EGLN1 (0.47) OPRL1ALDH1A1USP2PKMEGLN1
SCHEMBL3742780 0.78 OPRL1 (0.53) OPRL1CNR1EGLN1

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 4 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
WO-2009061676-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 233/4885HTT 4751/4885LMNA 4153/4885

“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.