SCHEMBL6778397

SCHEMBL6778397

CCN(CC)Cc1ccc(C(CCN2CCC(n3cnc4ccccc43)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
SLC6A4 P31645 1/20 0.50
CCR5 P51681 9/20 0.48
TACR2 P21452 1/20 0.46
CYP2D6 P10635 1/20 0.44
FPR2 P25090 1/20 0.42
PKM P14618 1/20 0.42
OPRM1 P35372 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
AKT1 P31749 1/20 0.38

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
SCHEMBL6778865 0.85 TACR2 (0.55) DRD2SLC6A4CCR5TACR2OPRM1
SCHEMBL5858616 0.80 DRD2 (0.69) DRD2SLC6A4CCR5TACR2CYP2D6
Hydrochloric Acid SCHEMBL6777403 0.74 TACR2 (0.56) DRD2SLC6A4CCR5TACR2CYP2D6
SCHEMBL3746308 0.73 DRD2 (0.62) DRD2SLC6A4CCR5TACR2PKM
SCHEMBL3754922 0.73 DRD2 (0.65) DRD2SLC6A4CCR5TACR2PKM
SCHEMBL5858744 0.73 DRD2 (0.68) DRD2SLC6A4CCR5TACR2CYP2D6
SCHEMBL3752313 0.72 DRD2 (0.61) DRD2SLC6A4CCR5TACR2PKM
SCHEMBL6780052 0.72 CCR5 (0.62) CCR5CYP2D6FPR2OPRM1OPRK1
SCHEMBL6780430 0.71 CCR5 (0.49) CCR5CYP2D6OPRM1OPRK1
SCHEMBL904830 0.70 DRD2 (0.60) DRD2SLC6A4CCR5TACR2CYP2D6

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 DRD2 95/4885SLC6A4 754/4885CCR5 272/4885

“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.