SCHEMBL3738860

SCHEMBL3738860

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
MCOLN3 Q8TDD5 2/20 0.46
TSHR P16473 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3728624 0.89 OPRL1 (0.68) OPRL1
SCHEMBL3729068 0.87 OPRL1 (0.54) OPRL1MEN1KMT2ATSHREGLN1
SCHEMBL3733515 0.86 OPRL1 (0.54) OPRL1L3MBTL1PKMMEN1KMT2A
SCHEMBL3742691 0.86 EGLN1 (0.47) OPRL1L3MBTL1PKMKMT2AEGLN1
SCHEMBL13078162 0.85 PKM (0.47) OPRL1PKMMEN1KMT2ARAB9A
SCHEMBL3730232 0.83 HSD11B1 (0.50) OPRL1EGLN1LMNAGAA
SCHEMBL3742780 0.83 OPRL1 (0.53) OPRL1MEN1KMT2AEGLN1
SCHEMBL3735041 0.83 OPRL1 (0.55) OPRL1PKMEGLN1ALDH1A1LMNA
SCHEMBL3739308 0.82 OPRL1 (0.50) OPRL1L3MBTL1PKMEGLN1ALDH1A1
SCHEMBL3734017 0.79 LMNA (0.44) OPRL1MEN1KMT2AEGLN1ALDH1A1

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 233/4885CTDSP1 2660/4885TDP1 4783/4885

“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.