SCHEMBL6385653

SCHEMBL6385653

O=C(NCc1ccc(C(=O)NC2CCS(O)(O)C2)cc1Cl)NC1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.43
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
OPRL1 P41146 1/20 0.40
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
ROCK2 O75116 2/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
OPRD1 P41143 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL6385658 0.91 DGAT2 (0.43) DHODHTAS1R3TAS1R1
SCHEMBL4758046 0.83 EPHX2 (0.49) DHODHOPRM1OPRK1TAS1R3TAS1R1
SCHEMBL6390930 0.79 DRD3 (0.47) OPRM1OPRK1OPRL1HTR2CDRD3
SCHEMBL6385904 0.78 OPRM1 (0.45) DHODHOPRM1OPRK1OPRL1HTR2C
SCHEMBL6385499 0.76 MCHR1 (0.51) OPRM1OPRK1OPRL1DRD3
SCHEMBL6385780 0.76 MCHR1 (0.51) OPRM1OPRK1OPRL1DRD3
SCHEMBL6390024 0.76 CACNA1G (0.56) DRD3
SCHEMBL6391127 0.74 OPRM1 (0.39) DHODHOPRM1OPRK1TAS1R3TAS1R1
SCHEMBL4701484 0.74 EPHX2 (0.38) DHODHOPRM1OPRK1TAS1R3TAS1R1
SCHEMBL4703609 0.71 AVPR2 (0.39) DHODHOPRM1OPRK1TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 DHODH 1710/4885OPRM1 3/4885OPRK1 1/4885

“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.