SCHEMBL13041626

SCHEMBL13041626

CC(C)N1C(=O)N(C2CC2)C(C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.39
▸ OPRK1 P41145 4/20 0.39
▸ OPRL1 P41146 4/20 0.39
▸ C5AR1 P21730 2/20 0.37
▸ BRD4 O60885 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PARP1 P09874 3/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL7886926 0.77 C5AR1 (0.45) OPRM1OPRK1OPRL1C5AR1BRD4
SCHEMBL13041624 0.69 C5AR1 (0.47) OPRM1OPRK1OPRL1C5AR1PARP1
SCHEMBL13041627 0.68 ALDH1A1 (0.42) OPRM1OPRK1OPRL1SMN1; SMN2CYP2D6
SCHEMBL2873256 0.66 BRD4 (0.38) BRD4PARP1ALDH1A1
SCHEMBL25061783 0.65 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL28227456 0.65 ALDH1A1 (0.41) OPRM1OPRK1OPRL1SMN1; SMN2CYP2D6
SCHEMBL38660167 0.65 ALDH1A1 (0.41) OPRM1OPRK1OPRL1SMN1; SMN2CYP2D6
SCHEMBL13041636 0.64 C5AR1 (0.45) OPRM1OPRK1OPRL1C5AR1PARP1
SCHEMBL14169822 0.63 SLC6A2 (0.38) OPRM1OPRK1OPRL1SMN1; SMN2CYP2D6
SCHEMBL13041646 0.62 MAPK1 (0.47) C5AR1ALDH1A1

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 1 patent. 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

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 OPRM1 1102/4885OPRK1 1881/4885OPRL1 2977/4885

“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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