SCHEMBL1566071

SCHEMBL1566071

Fc1ccc(NC2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
EPHX1 P07099 1/20 0.53
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.49
MERTK Q12866 1/20 0.48
TRPA1 O75762 2/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7837054 0.98 NPC1 (0.56) MAPTLMNAPOLBGAANPC1
SCHEMBL3080079 0.98 NPC1 (0.56) MAPTLMNAPOLBGAANPC1
SCHEMBL539395 0.91 DDB1 (0.46) MAPTLMNAPOLBGAANPC1
Hydrochloric Acid SCHEMBL1918398 0.88 DDB1 (0.44) MAPTLMNAPOLBGAANPC1
SCHEMBL11526739 0.88 MAPT (0.63) MAPTLMNAPOLBGAANPC1
SCHEMBL5584012 0.87 ALOX12 (0.50) MAPTLMNAPOLBGAANPC1
SCHEMBL78145 0.85 MAPT (0.61) MAPTLMNAPOLBGAANPC1
SCHEMBL11526941 0.85 MAPT (0.61) MAPTLMNAPOLBGAANPC1
SCHEMBL3400048 0.85 MAPT (0.61) MAPTLMNAPOLBGAANPC1
SCHEMBL25039328 0.81 CDK1 (0.43) MAPTLMNAPOLBGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
EP-2305648-A1 Amide derivatives useful as glucokinase activators Novo Nordisk A/S (DK) 2011-04-06 EP disclosed
US-20030171411-A1 Amide derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2003-09-11 US disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 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 (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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 MAPT 1200/4885LMNA 4691/4885POLB 2211/4885
US-20030171411-A1 Amide derivatives as therapeutic agents GK, GCKR, GCK MAPT 4194/4885LMNA 3743/4885POLB 3388/4885

“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.