SCHEMBL6841843

SCHEMBL6841843

O=C(n1cccc1)C(CCN1CCC(O)(c2ccccc2O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.55
OPRL1 P41146 5/20 0.49
ADRA2A P08913 3/20 0.49
DRD4 P21917 3/20 0.49
SLC6A4 P31645 3/20 0.49
OPRD1 P41143 3/20 0.49
HRH2 P25021 2/20 0.49
ADRA1A P35348 2/20 0.49
KCNH2 Q12809 2/20 0.49
SCN5A Q14524 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
ADRB2 P07550 2/20 0.49
OPRK1 P41145 2/20 0.49
HTR2B P41595 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
SCN1A P35498 2/20 0.49

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
SCHEMBL6662792 0.86 OPRM1 (0.55) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6665371 0.82 OPRM1 (0.72) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6661642 0.82 OPRM1 (0.72) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6661585 0.80 OPRM1 (0.58) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6843621 0.79 OPRM1 (0.45) OPRM1OPRD1KCNH2SIGMAR1HRH1
SCHEMBL7744512 0.74 OPRM1 (0.66) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6661392 0.74 KCNA3 (0.77) RAB9ANPSR1KCNA3CCR1CCR3
SCHEMBL6695001 0.74 OPRM1 (0.65) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6664282 0.73 OPRM1 (0.48) OPRM1OPRL1ADRA2ADRD4SLC6A4
Hydrochloric Acid SCHEMBL7738855 0.73 OPRM1 (0.64) OPRM1OPRL1ADRA2ADRD4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same SSP CO., LTD. (JP) 2004-02-19 US disclosed
EP-1325912-A1 2,2-DIPHENYLBUTANAMIDE DERIVATIVES AND MEDICINES CONTAINING THE SAME SSP Co., Ltd. (JP) 2003-07-09 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-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRL1 4/4885ADRA2A 23/4885

“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.