SCHEMBL3777903

SCHEMBL3777903

CN(C(=O)Cn1ccc2c[c]ccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
POLQ O75417 2/20 0.40
GRIN2B Q13224 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
DRD4 P21917 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1660960 0.78 KMT2A (0.60) KMT2AALDH1A1MEN1LMNA
SCHEMBL6840335 0.78 PLA2G4A (0.47) KMT2AALDH1A1GRIN2B
SCHEMBL5797648 0.74 LMNA (0.43) KMT2AALDH1A1LMNAKDM4E
SCHEMBL5777834 0.74 MAPT (0.42) KMT2AALDH1A1LMNAPOLBKDM4E
SCHEMBL5777257 0.73 ATM (0.47) KMT2AALDH1A1POLBKDM4E
SCHEMBL8568248 0.72 KMT2A (0.65) KMT2AGRIN2BLMNA
SCHEMBL20348537 0.72 KMT2A (0.56) KMT2AALDH1A1POLQGRIN2BMEN1
SCHEMBL18362072 0.72 KMT2A (0.56) KMT2AALDH1A1GRIN2BMEN1LMNA
SCHEMBL16719793 0.70 HTR2A (0.40)
SCHEMBL6228633 0.70 HDAC6 (0.38) KMT2AALDH1A1KDM4E

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-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 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 (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-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885ALDH1A1 364/4885POLQ 1842/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885ALDH1A1 364/4885POLQ 1842/4885

“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.