Sugi Predict

Sugi Predict / Compounds / SCHEMBL6840171

SCHEMBL6840171

SCHEMBL6840171

c1ccc(C(c2ccccc2)N2CC(N3CCCCC3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 2/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.70
▸ KMT2A Q03164 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2D6 P10635 6/20 0.48
▸ KCNH2 Q12809 5/20 0.48
▸ CYP2C19 P33261 5/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ KCNA5 P22460 4/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ OPRM1 P35372 3/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ ADRA2A P08913 1/20 0.46

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
SCHEMBL3311978 1.00 L3MBTL3 (0.70) L3MBTL3L3MBTL1KMT2ANPSR1KDM4E
SCHEMBL3263017 0.98 L3MBTL3 (0.72) L3MBTL3L3MBTL1KMT2ANPSR1KDM4E
SCHEMBL3069120 0.95 L3MBTL3 (0.67) L3MBTL3L3MBTL1KMT2ANPSR1KDM4E
SCHEMBL5137801 0.88 L3MBTL3 (0.63) L3MBTL3L3MBTL1KMT2ANPSR1KDM4E
SCHEMBL693969 0.83 KMT2A (0.66) L3MBTL3L3MBTL1KMT2AHPGDCYP2D6
SCHEMBL6948721 0.83 L3MBTL3 (0.53) L3MBTL3L3MBTL1KMT2AKDM4ECYP2D6
SCHEMBL5745494 0.83 CHRM2 (0.66) L3MBTL3L3MBTL1KMT2AKDM4ECYP2D6
SCHEMBL7467378 0.83 L3MBTL3 (0.57) L3MBTL3L3MBTL1KMT2ACYP2D6KCNH2
SCHEMBL4257542 0.83 L3MBTL3 (0.53) L3MBTL3L3MBTL1KMT2ACYP2D6KCNH2
SCHEMBL23682663 0.82 L3MBTL3 (1.00) L3MBTL3L3MBTL1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — US disclosed
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 — — 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
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
CN-1072666-C (Azetidin-1-ylalkyl) lactams as tachykinin antagonists PFIZER RES AND DEV CO N V S A (IE) 2001-10-10 — — CN disclosed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 — — EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 — — US disclosed
CN-1154699-A (Azetidin-1-ylalkyl) lactams as tachykinin antagonists PFIZER LTD (IE) 1997-07-16 — — CN disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 — — EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 — — 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 (7 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 L3MBTL3 2111/4885L3MBTL1 1011/4885KMT2A 1573/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL3 1342/4885L3MBTL1 745/4885KMT2A 535/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL3 1342/4885L3MBTL1 745/4885KMT2A 535/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA L3MBTL3 2111/4885L3MBTL1 1011/4885KMT2A 1573/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL3 1342/4885L3MBTL1 745/4885KMT2A 535/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA L3MBTL3 2111/4885L3MBTL1 1011/4885KMT2A 1573/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS L3MBTL3 2377/4885L3MBTL1 1725/4885KMT2A 1502/4885

“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.