SCHEMBL6014665

SCHEMBL6014665

CCC(=O)C(CC(C)NC)(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.64
DRD3 P35462 3/20 0.64
KCNH2 Q12809 3/20 0.64
GRIN2D O15399 2/20 0.64
GRIN1 Q05586 2/20 0.64
GRIN2A Q12879 2/20 0.64
GRIN2B Q13224 2/20 0.64
GRIN2C Q14957 2/20 0.64
OPRD1 P41143 2/20 0.64
DRD4 P21917 2/20 0.64
OPRK1 P41145 2/20 0.64
CACNA1F O60840 1/20 0.64
ABCB1 P08183 1/20 0.64
CYP2B6 P20813 1/20 0.64
CACNA1D Q01668 1/20 0.64
CACNA1S Q13698 1/20 0.64
CACNA1C Q13936 1/20 0.64
MRGPRX2 Q96LB1 1/20 0.64
DRD2 P14416 1/20 0.53
CYP2D6 P10635 2/20 0.41

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
SCHEMBL18994323 1.00 OPRM1 (0.64) OPRM1DRD3KCNH2GRIN2DGRIN1
Alcohol SCHEMBL11601726 0.97 OPRM1 (0.61) OPRM1DRD3KCNH2GRIN2DGRIN1
SCHEMBL11602733 0.93 OPRM1 (0.57) OPRM1DRD3KCNH2GRIN2DGRIN1
SCHEMBL31526911 0.84 OPRM1 (0.59) OPRM1DRD3KCNH2GRIN2DGRIN1
Levomethadone SCHEMBL147864 0.78 GRIN1 (1.00) OPRM1DRD3KCNH2GRIN2DGRIN1
Esmethadone SCHEMBL24294 0.78 GRIN1 (1.00) OPRM1DRD3KCNH2GRIN2DGRIN1
Methadone SCHEMBL17008675 0.78 GRIN1 (1.00) OPRM1DRD3KCNH2GRIN2DGRIN1
Methadone SCHEMBL34140 0.78 GRIN1 (1.00) OPRM1DRD3KCNH2GRIN2DGRIN1
SCHEMBL5605501 0.78 OPRM1 (0.64) OPRM1DRD3KCNH2GRIN2DGRIN1
Levomethadone SCHEMBL8506268 0.78 GRIN1 (1.00) OPRM1DRD3KCNH2GRIN2DGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO 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 (2 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 OPRM1 2222/4885DRD3 682/4885KCNH2 3759/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 OPRM1 2222/4885DRD3 682/4885KCNH2 3759/4885

“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.