SCHEMBL3729068

SCHEMBL3729068

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.54
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 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
SCHEMBL3733515 0.91 OPRL1 (0.54) OPRL1EGLN1ALDH1A1GAACYP3A4
SCHEMBL3742691 0.91 EGLN1 (0.47) OPRL1EGLN1ALDH1A1USP2KMT2A
SCHEMBL3729066 0.89 OPRL1 (0.47) OPRL1EGLN1ALDH1A1GAAOPRM1
SCHEMBL3730232 0.88 HSD11B1 (0.50) OPRL1EGLN1GAAPOLB
SCHEMBL3735311 0.87 OPRL1 (0.43) OPRL1EGLN1OPRM1OPRK1
SCHEMBL3738860 0.87 OPRL1 (0.52) OPRL1EGLN1ALDH1A1GAATSHR
SCHEMBL3739308 0.83 OPRL1 (0.50) OPRL1EGLN1ALDH1A1GAACYP1A2
SCHEMBL3734017 0.82 LMNA (0.44) OPRL1EGLN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3735041 0.81 OPRL1 (0.55) OPRL1EGLN1ALDH1A1GAAUSP2
SCHEMBL3742780 0.81 OPRL1 (0.53) OPRL1EGLN1KMT2AMEN1OPRM1

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 233/4885EGLN1 811/4885ALDH1A1 2486/4885

“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.