SCHEMBL8931777

SCHEMBL8931777

CN1CCC(C)(c2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.63
DRD4 P21917 1/20 0.63
OPRD1 P41143 3/20 0.50
SLC18A3 Q16572 1/20 0.45
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC22A1 O15245 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
EPHX2 P34913 3/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 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
SCHEMBL24119449 1.00 OPRM1 (0.63) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL27099783 1.00 OPRM1 (0.63) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL19121784 0.89 DRD4 (0.55) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL17012254 0.89 DRD4 (0.55) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL684582 0.88 OPRD1 (0.62) OPRM1DRD4OPRD1SLC18A3SLC6A4
Methyl Alcohol SCHEMBL11452306 0.84 OPRD1 (0.64) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL19931803 0.83 OPRM1 (0.50) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL24685567 0.82 OPRM1 (0.49) OPRM1DRD4OPRD1SLC6A3
SCHEMBL24685723 0.81 OPRM1 (0.42) OPRM1DRD4OPRD1SLC18A3SLC6A4
SCHEMBL30912512 0.81 OPRM1 (0.46) OPRM1DRD4OPRD1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 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 (4 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 OPRM1 2117/4885DRD4 673/4885OPRD1 394/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 OPRM1 2117/4885DRD4 673/4885OPRD1 394/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 OPRM1 2117/4885DRD4 673/4885OPRD1 394/4885
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA OPRM1 4543/4885DRD4 4107/4885OPRD1 4194/4885

“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.