SCHEMBL4758046

SCHEMBL4758046

O=C(NCc1ccc(C(=O)O)cc1Cl)NC1c2ccccc2CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 1/20 0.49
PPIA P62937 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXA2R P21731 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRL1 P41146 1/20 0.41
DHODH Q02127 1/20 0.40
P2RX7 Q99572 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL4701484 0.85 EPHX2 (0.38) EPHX2NR1H4PPIAMEN1KMT2A
SCHEMBL6385653 0.83 DHODH (0.43) EPHX2NR1H4OPRM1OPRK1TAS1R3
SCHEMBL6385658 0.83 DGAT2 (0.43) TAS1R3TAS1R1ALDH1A1DHODH
SCHEMBL4701668 0.82 ALDH1A1 (0.39) EPHX2PPIATBXA2ROPRM1OPRK1
SCHEMBL4703609 0.80 AVPR2 (0.39) EPHX2NR1H4PPIAMEN1KMT2A
SCHEMBL6390930 0.80 DRD3 (0.47) OPRM1OPRK1ALDH1A1OPRL1SMN1; SMN2
SCHEMBL6391127 0.80 OPRM1 (0.39) EPHX2NR1H4PPIAOPRM1OPRK1
SCHEMBL6385904 0.78 OPRM1 (0.45) OPRM1OPRK1OPRL1DHODH
SCHEMBL6385780 0.78 MCHR1 (0.51) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL6385499 0.78 MCHR1 (0.51) MEN1KMT2AOPRM1OPRK1OPRL1

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
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 EPHX2 318/4885NR1H4 814/4885PPIA 2385/4885

“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.