SCHEMBL6774082

SCHEMBL6774082

CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.56
TACR1 P25103 4/20 0.56
TACR3 P29371 4/20 0.56
OPRM1 P35372 5/20 0.55
PLD2 O14939 2/20 0.55
PLD1 Q13393 2/20 0.55
HSD11B1 P28845 1/20 0.55
OPRL1 P41146 3/20 0.54
OPRD1 P41143 2/20 0.54
DRD2 P14416 3/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PMP22 Q01453 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CHRM1 P11229 2/20 0.53
KCNH2 Q12809 2/20 0.53
MEN1 O00255 1/20 0.53
SLC22A2 O15244 1/20 0.53

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
SCHEMBL6779973 0.96 OPRM1 (0.59) TACR2TACR1TACR3OPRM1PLD2
SCHEMBL6780806 0.95 HSD11B1 (0.57) TACR2TACR1TACR3OPRM1PLD2
SCHEMBL6778076 0.94 PLD2 (0.62) TACR2TACR1TACR3OPRM1PLD2
SCHEMBL6778199 0.92 OPRM1 (0.61) TACR2TACR1TACR3OPRM1PLD2
SCHEMBL6778528 0.92 OPRM1 (0.57) TACR2OPRM1PLD2PLD1HSD11B1
SCHEMBL6778586 0.89 OPRM1 (0.61) TACR2TACR1TACR3OPRM1PLD2
Hydrochloric Acid SCHEMBL6778649 0.89 TACR2 (0.57) TACR2TACR1TACR3OPRM1PLD2
SCHEMBL6888823 0.89 PLD2 (0.60) TACR2OPRM1PLD2PLD1HSD11B1
SCHEMBL6779946 0.88 OPRM1 (0.56) TACR2TACR1TACR3OPRM1PLD2
Hydrochloric Acid SCHEMBL6783903 0.88 TACR2 (0.57) TACR2TACR1TACR3OPRM1PLD2

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
US-6790854-B2 TREATMENT OF DEPRESSION, EPILEPSY AND PARKINSON'S ISEASE, ANALGESICS MEIJI SEIKA KAISHA, LTD. (JP) 2004-09-14 US disclosed
US-20030176693-A1 Diphenylalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-18 US disclosed
EP-1277737-A1 DIPHENYLALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2003-01-22 EP 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-20030176693-A1 Diphenylalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRL1 TACR2 50/4885TACR1 32/4885TACR3 421/4885

“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.