SCHEMBL6778076

SCHEMBL6778076

CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 3/20 0.62
PLD1 Q13393 2/20 0.62
TACR2 P21452 5/20 0.57
TACR1 P25103 2/20 0.57
TACR3 P29371 2/20 0.57
OPRM1 P35372 7/20 0.56
DRD2 P14416 3/20 0.56
OPRD1 P41143 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PMP22 Q01453 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP2D6 P10635 2/20 0.56
CHRM1 P11229 2/20 0.56
KCNH2 Q12809 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
MEN1 O00255 1/20 0.56
SLC22A2 O15244 1/20 0.56
MLNR O43193 1/20 0.56

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
SCHEMBL6774082 0.94 TACR2 (0.56) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6778199 0.94 OPRM1 (0.61) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6779946 0.91 OPRM1 (0.56) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6774287 0.90 OPRM1 (0.69) PLD2PLD1TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL6783903 0.90 TACR2 (0.57) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6779973 0.90 OPRM1 (0.59) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6780806 0.88 HSD11B1 (0.57) PLD2PLD1TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL6778779 0.88 TACR2 (0.57) PLD2PLD1TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL6778649 0.88 TACR2 (0.57) PLD2PLD1TACR2TACR1TACR3
SCHEMBL6778586 0.88 OPRM1 (0.61) PLD2PLD1TACR2TACR1TACR3

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 PLD2 2292/4885PLD1 2874/4885TACR2 50/4885

“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.