SCHEMBL3436634

SCHEMBL3436634

Cc1cccnc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
LRRK2 Q5S007 1/20 0.51
HSD11B1 P28845 1/20 0.51
POLB P06746 1/20 0.49
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
PIK3CA P42336 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP7 P55210 1/20 0.47
TRPV1 Q8NER1 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
SCHEMBL15966076 0.94 CYP1A2 (0.51) CYP1A2CYP2C9LRRK2HSD11B1POLB
SCHEMBL15966094 0.83 HSD11B1 (0.55) CYP1A2CYP2C9HSD11B1CYP2C19TRPV1
SCHEMBL11962834 0.83 HSD11B1 (0.55) CYP1A2CYP2C9HSD11B1MAPK1ALDH1A1
SCHEMBL18228586 0.83 HSD11B1 (0.55) CYP1A2CYP2C9HSD11B1MAPK1ALDH1A1
SCHEMBL38663700 0.83 POLB (0.46) CYP1A2CYP2C9LRRK2POLBSTK4
SCHEMBL2614921 0.81 CYP1A2 (0.56) CYP1A2CYP2C9HSD11B1LMNAALDH1A1
SCHEMBL17206944 0.81 HSD11B1 (0.50) HSD11B1TRPV1
SCHEMBL5178342 0.80 HSD11B1 (0.56) CYP1A2HSD11B1ALDH1A1CYP2C19CYP3A4
SCHEMBL3436729 0.80 CHRM4 (0.55) CYP2C9POLBMAPK1ALDH1A1TSHR
SCHEMBL29952663 0.79 CYP1A2 (0.54) CYP1A2CYP2C9LRRK2POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 US disclosed
WO-2020234103-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-26 WO disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 WO disclosed
WO-2019173499-A1 17-BETA-HYDROXYWITHANOLIDES AND USE THEREOF IN TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 WO disclosed
US-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2019-07-02 US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO disclosed
EP-0617968-B1 HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2003-01-08 EP 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 (10 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 CYP1A2 19/4885CYP2C9 8/4885LRRK2 4181/4885
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CYP1A2 264/4885CYP2C9 1092/4885LRRK2 3854/4885
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 CYP1A2 180/4885CYP2C9 441/4885LRRK2 4406/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CYP1A2 2371/4885CYP2C9 2201/4885LRRK2 778/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 CYP1A2 180/4885CYP2C9 441/4885LRRK2 4406/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CYP1A2 1888/4885CYP2C9 2993/4885LRRK2 1931/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 CYP1A2 264/4885CYP2C9 1092/4885LRRK2 3854/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CYP1A2 1423/4885CYP2C9 1569/4885LRRK2 691/4885
US-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 CYP1A2 2058/4885CYP2C9 4065/4885LRRK2 136/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CYP1A2 1955/4885CYP2C9 2215/4885LRRK2 2512/4885

“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.