SCHEMBL6843065

SCHEMBL6843065

CC(=O)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
CYP3A4 P08684 4/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C9 P11712 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.50
MAOB P27338 1/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL16099153 0.88 KMT2A (0.53) KMT2AALDH1A1USP2MEN1MAOB
SCHEMBL3766753 0.86 KMT2A (0.51) KMT2AALDH1A1MEN1MAOBMAPT
SCHEMBL4734659 0.85 CYP2D6 (0.61) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL3771250 0.85 CACNA2D1 (0.53) KMT2AALDH1A1USP2KDM4ECACNA1H
SCHEMBL692922 0.84 MAOB (0.71) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL3764746 0.83 CACNA2D1 (0.55) KMT2AALDH1A1USP2MAOBNPSR1
SCHEMBL3772656 0.83 ALDH1A1 (0.74) KMT2AALDH1A1MAOBMAPTNPSR1
SCHEMBL5136398 0.83 KMT2A (0.52) KMT2AALDH1A1MEN1MAOBMAPT
SCHEMBL13994872 0.83 KMT2A (1.00) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL3760213 0.83 CACNA2D1 (0.51) KMT2AALDH1A1USP2MEN1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375430-B2 Monoacylglycerol lipase inhibitors for the treatment of metabolic diseases and related disorders JANSSEN PHARMACEUTICA NV (BE) 2016-06-28 US disclosed
US-8987247-B2 Monoacylglycerol lipase inhibitors for the treatment of metabolic diseases and related disorders JANSSEN PHARMACEUTICA NV (BE) 2015-03-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-12 US disclosed
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-08-22 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130085129-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES AND RELATED DISORDERS JANSSEN PHARMACEUTICA NV (US) 2013-04-04 US disclosed
US-20130085130-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES AND RELATED DISORDERS JANSSEN PHARMACEUTICA NV (US) 2013-04-04 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324014-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 (12 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 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130085129-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES AND RELATED DISORDERS PNLIP, LIPC, LPL KMT2A 1466/4885CYP3A4 1641/4885CYP2D6 1515/4885
US-20130085130-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES AND RELATED DISORDERS PNLIP, LIPC, LPL KMT2A 1698/4885CYP3A4 1098/4885CYP2D6 1201/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KMT2A 1573/4885CYP3A4 2735/4885CYP2D6 855/4885

“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.