SCHEMBL13041644

SCHEMBL13041644

CC(C)N1C(=O)N(CC2CCCCC2)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.42
▸ OPRM1 P35372 5/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP19 O94966 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ CCKBR P32239 1/20 0.35

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
SCHEMBL13041641 0.93 BRD4 (0.41) OPRL1OPRM1OPRK1BRD4DPP4
SCHEMBL13041639 0.78 PARP1 (0.43) OPRL1OPRM1OPRK1DPP4
SCHEMBL13041630 0.77 ALDH1A1 (0.43) OPRL1OPRM1MEN1KMT2ADRD2
SCHEMBL13041625 0.76 ALDH1A1 (0.39) OPRL1OPRM1DPP4
SCHEMBL13041636 0.76 C5AR1 (0.45) OPRL1OPRM1OPRK1KMT2ARAB9A
SCHEMBL13041631 0.76 ENPP2 (0.51) OPRL1OPRM1OPRK1KMT2ABRD4
SCHEMBL13041643 0.74 ALOX15 (0.36) OPRL1OPRM1MEN1KMT2ADRD2
SCHEMBL13041635 0.74 PARP1 (0.43) KMT2AMAPTNPSR1
SCHEMBL13041634 0.74 PARP1 (0.43) MEN1KMT2ADRD2MAPTRAB9A
SCHEMBL13041640 0.73 PARP1 (0.44) DRD2SIGMAR1

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 OPRL1 2977/4885OPRM1 1102/4885OPRK1 1881/4885

“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.

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