SCHEMBL3742780

SCHEMBL3742780

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
BRD4 O60885 1/20 0.45
CNR1 P21554 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TGM2 P21980 1/20 0.42
NPY5R Q15761 1/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL3742290 0.88 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL13078098 0.84 MEN1 (0.48) OPRL1MEN1KMT2ACNR1HDAC3
SCHEMBL3736827 0.83 KMT2A (0.51) OPRL1MEN1KMT2AEGLN1
SCHEMBL3738860 0.83 OPRL1 (0.52) OPRL1MEN1KMT2AEGLN1
SCHEMBL3729068 0.81 OPRL1 (0.54) OPRL1MEN1KMT2AEGLN1OPRM1
SCHEMBL3742691 0.80 EGLN1 (0.47) OPRL1KMT2AEGLN1OPRM1OPRK1
SCHEMBL3733515 0.80 OPRL1 (0.54) OPRL1MEN1KMT2AEGLN1
SCHEMBL3730232 0.80 HSD11B1 (0.50) OPRL1EGLN1
SCHEMBL3735041 0.78 OPRL1 (0.55) OPRL1EGLN1CNR1
SCHEMBL3739308 0.77 OPRL1 (0.50) 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 233/4885MEN1 4821/4885KMT2A 4361/4885

“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.