SCHEMBL1932152

SCHEMBL1932152

CCN(CC)C(=O)c1ccc(C(c2cccc([N+](=O)[O-])c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.67
KCNH2 Q12809 3/20 0.67
OPRM1 P35372 5/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
OPRK1 P41145 2/20 0.51

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
SCHEMBL12360008 1.00 OPRD1 (0.67) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL12569762 0.92 OPRD1 (0.62) OPRD1KCNH2OPRM1OPRK1
SCHEMBL84109 0.92 OPRD1 (0.62) OPRD1KCNH2OPRM1OPRK1
SCHEMBL12569769 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL84149 0.87 OPRD1 (0.72) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL9925787 0.87 OPRD1 (0.72) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL71180 0.86 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL29457724 0.86 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL71181 0.86 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL73453 0.86 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 US disclosed
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 US disclosed
WO-2011065905-A1 SOLID FORMS OF 4-{(R)-(3-AMINOPHENYL)[4-(4-FLUOROBENZYL)-PIPERAZIN-1-YL]METHYL}-N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-06-03 WO disclosed
WO-2011065905-A1 SOLID FORMS OF 4-{(R)-(3-AMINOPHENYL)[4-(4-FLUOROBENZYL)-PIPERAZIN-1-YL]METHYL}-N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-06-03 WO 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-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH VHL, TPMT, NNMT OPRD1 4300/4885KCNH2 2033/4885OPRM1 3133/4885

“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.