SCHEMBL3743952

SCHEMBL3743952

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.56
IP6K1 Q92551 3/20 0.54
ALDH1A1 P00352 2/20 0.49
EGLN1 Q9GZT9 1/20 0.49
IP6K3 Q96PC2 1/20 0.48
IP6K2 Q9UHH9 1/20 0.48
LMNA P02545 1/20 0.48
DDR1 Q08345 1/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
C5AR1 P21730 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL3732747 0.88 OPRL1 (0.74) OPRL1ALDH1A1
SCHEMBL3730104 0.84 OPRL1 (0.58) OPRL1ALDH1A1EGLN1C5AR1PTGDR2
SCHEMBL3733515 0.81 OPRL1 (0.54) OPRL1ALDH1A1EGLN1LMNAC5AR1
SCHEMBL2256110 0.76 EGLN1 (0.53) OPRL1EGLN1PTGDR2
SCHEMBL2254486 0.75 EGLN1 (0.52) OPRL1EGLN1PTGDR2
SCHEMBL2254620 0.75 EGLN1 (0.52) OPRL1ALDH1A1EGLN1
SCHEMBL2255992 0.74 EGLN1 (0.58) OPRL1EGLN1C5AR1
SCHEMBL3739268 0.74 PTGDR2 (0.47) OPRL1ALDH1A1EGLN1LMNAC5AR1
SCHEMBL18729423 0.73 OPRL1 (0.61) OPRL1ALDH1A1EGLN1C5AR1
SCHEMBL9774497 0.72 PTGDR2 (0.48) OPRL1ALDH1A1EGLN1PTGDR2

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 5 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
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 233/4885IP6K1 1556/4885ALDH1A1 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.