SCHEMBL951832

SCHEMBL951832

CN(c1cc[c]cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.33
CHKA P35790 2/20 0.33
AHR P35869 1/20 0.33
S1PR1 P21453 1/20 0.33
APEX1 P27695 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
RAD51 Q06609 1/20 0.31

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
SCHEMBL6000381 0.77 CHRM5 (0.45) HDAC3HDAC1HDAC2HDAC6RXRA
SCHEMBL27629250 0.77 S1PR1 (0.39) RXRARXRBRXRGAHRS1PR1
SCHEMBL9617616 0.76 TUBB4A (0.44) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL2056277 0.72 ALDH1A1 (0.50) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL864392 0.71 CES2 (0.39) ALDH1A1MAPTTSHRHSD17B10TAAR1
SCHEMBL693898 0.70 CHKA (0.42) KMT2ACHKAS1PR1MEN1ALDH1A1
SCHEMBL955403 0.69 LMNA (0.33) CHKAMAPTTSHRTAAR1SLC6A2
SCHEMBL29145556 0.69 CYP3A4 (0.42) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL30633035 0.69 CYP3A4 (0.42) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL6553696 0.68 CA12 (0.46) TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 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 (2 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HDAC3 2573/4885HDAC1 860/4885HDAC2 2594/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HDAC3 2573/4885HDAC1 860/4885HDAC2 2594/4885

“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.