SCHEMBL17138114

SCHEMBL17138114

CN1C(=O)C2(CCCC2)c2ccc(N)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.49
OPRL1 P41146 9/20 0.49
OPRK1 P41145 9/20 0.49
OPRD1 P41143 4/20 0.49
IP6K1 Q92551 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 2/20 0.36
POLB P06746 1/20 0.34
SLC6A4 P31645 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SLC6A2 P23975 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
SCHEMBL21904166 0.87 OPRL1 (0.44) OPRM1OPRL1OPRK1OPRD1IP6K1
SCHEMBL16618534 0.84 OPRL1 (0.49) OPRM1OPRL1OPRK1OPRD1IP6K1
SCHEMBL31559318 0.81 OPRK1 (0.46) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL2488961 0.81 OPRL1 (0.48) OPRM1OPRL1OPRK1OPRD1IP6K1
SCHEMBL12782404 0.79 OPRL1 (0.63) OPRM1OPRL1OPRK1OPRD1IP6K1
SCHEMBL31330332 0.78 OPRK1 (0.46) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL2144650 0.77 MEN1 (0.40) OPRM1OPRL1OPRK1OPRD1CYP19A1
SCHEMBL30411919 0.77 OPRL1 (0.60) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL15579138 0.77 OPRL1 (0.60) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL31251176 0.77 MEN1 (0.40) OPRM1OPRL1OPRK1OPRD1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895476-B1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2016-06-22 EP disclosed
US-9221816-B2 2-oxo-2,3-dihydro-indoles for the treatment of CNS disorders HOFFMANN LA-ROCHE INC. (US) 2015-12-29 US disclosed
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE INC. (US) 2015-10-08 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-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 OPRM1 32/4885OPRL1 45/4885OPRK1 19/4885

“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.