SCHEMBL3742691

SCHEMBL3742691

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
ALDH1A1 P00352 3/20 0.46
OPRL1 P41146 9/20 0.46
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL3729068 0.91 OPRL1 (0.54) EGLN1ALDH1A1OPRL1KMT2AUSP2
SCHEMBL3733515 0.90 OPRL1 (0.54) EGLN1ALDH1A1OPRL1PKMKMT2A
SCHEMBL3731861 0.88 OPRL1 (0.60) ALDH1A1OPRL1OPRM1OPRK1
SCHEMBL3730232 0.87 HSD11B1 (0.50) EGLN1OPRL1
SCHEMBL3738860 0.86 OPRL1 (0.52) EGLN1ALDH1A1OPRL1PKMKMT2A
SCHEMBL3735311 0.82 OPRL1 (0.43) EGLN1OPRL1OPRM1OPRK1
SCHEMBL3729066 0.82 OPRL1 (0.47) EGLN1ALDH1A1OPRL1OPRM1OPRK1
SCHEMBL3739308 0.82 OPRL1 (0.50) EGLN1ALDH1A1OPRL1PKMCYP2D6
SCHEMBL3734017 0.81 LMNA (0.44) EGLN1ALDH1A1OPRL1KMT2AOPRM1
SCHEMBL3735041 0.81 OPRL1 (0.55) EGLN1ALDH1A1OPRL1PKMUSP2

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 EGLN1 811/4885ALDH1A1 2486/4885OPRL1 233/4885

“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.