SCHEMBL6778431

SCHEMBL6778431

CCN(CC)C(=O)c1ccc(C(CCN2CCC(c3c[nH]c4ccccc34)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR7 P34969 4/20 0.53
DRD2 P14416 2/20 0.53
KCNH2 Q12809 1/20 0.51
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CCR5 P51681 1/20 0.48
OPRK1 P41145 1/20 0.48

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
Hydrochloric Acid SCHEMBL6780477 0.89 HTR2A (0.55) HTR2AHTR7DRD2KCNH2OPRM1
SCHEMBL6774082 0.81 TACR2 (0.56) HTR2ADRD2KCNH2OPRM1OPRD1
SCHEMBL7539756 0.77 ADRA1D (0.66)
SCHEMBL6778865 0.77 TACR2 (0.55) DRD2OPRM1OPRD1CYP1A2CYP3A4
SCHEMBL6779973 0.77 OPRM1 (0.59) HTR2ADRD2KCNH2OPRM1OPRD1
SCHEMBL6779960 0.76 CYP3A4 (0.51) OPRM1OPRD1CYP3A4CCR5OPRK1
SCHEMBL6775075 0.76 TACR2 (0.49) OPRM1OPRD1CCR5
SCHEMBL6780476 0.76 KCNA3 (0.52) OPRM1OPRD1CYP1A2CYP3A4
SCHEMBL6780052 0.76 CCR5 (0.62) OPRM1OPRD1CCR5OPRK1
SCHEMBL6780806 0.75 HSD11B1 (0.57) DRD2KCNH2OPRM1OPRD1OPRK1

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 HTR2A 265/4885HTR7 189/4885DRD2 95/4885

“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.