SCHEMBL6844826

SCHEMBL6844826

BN1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)C(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 5/20 0.37
OPRD1 P41143 2/20 0.37
OPRL1 P41146 4/20 0.36
OPRK1 P41145 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL911824 0.82 ALDH1A1 (0.45) SLC6A9ALDH1A1MEN1KMT2ACACNA1H
SCHEMBL694215 0.79 MAOB (0.56) SLC6A9ALDH1A1KMT2ACYP2D6CACNA1H
SCHEMBL693179 0.78 MEN1 (0.51) MEN1KMT2AOPRM1OPRD1CYP2D6
SCHEMBL3227418 0.78 AGTR2 (0.45) SLC6A9ALDH1A1MEN1KMT2AL3MBTL3
SCHEMBL6840313 0.75 KMT2A (0.44) SLC6A9ALDH1A1MEN1KMT2ACACNA1H
SCHEMBL3226667 0.73 ALDH1A1 (0.50) SLC6A9ALDH1A1MEN1KMT2ACACNA1H
SCHEMBL3232462 0.71 ALDH1A1 (0.46) SLC6A9ALDH1A1MEN1KMT2AL3MBTL3
SCHEMBL3230011 0.71 MEN1 (0.46) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL27727660 0.70 L3MBTL3 (0.49) ALDH1A1MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL72670 0.70 MEN1 (0.48) SLC6A9ALDH1A1MEN1KMT2AOPRM1

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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US 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 (4 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SLC6A9 1949/4885ALDH1A1 364/4885MEN1 1953/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SLC6A9 1949/4885ALDH1A1 364/4885MEN1 1953/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SLC6A9 1949/4885ALDH1A1 364/4885MEN1 1953/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SLC6A9 1949/4885ALDH1A1 364/4885MEN1 1953/4885

“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.