SCHEMBL192374

SCHEMBL192374

CCCCCCc1c[c]c(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL193524 0.92 SKP2 (0.44) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL191629 0.84 LPL (0.39) ALDH1A1KDM4ELPLLIPGMGLL
SCHEMBL829405 0.81 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10512613 0.81 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1778094 0.81 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL828819 0.81 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL6550504 0.79 ESR1 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9515541 0.79 PTGS2 (0.58) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4762927 0.79 ESR1 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL598800 0.79 PTGS2 (0.58) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-8349870-B2 Fungicidal hetercyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-18 US disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 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 (9 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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 PTGS2 2833/4885ESR1 2119/4885ADRA2A 419/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PTGS2 1611/4885ESR1 2758/4885ADRA2A 2170/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 PTGS2 2013/4885ESR1 3043/4885ADRA2A 1873/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 PTGS2 1040/4885ESR1 3046/4885ADRA2A 3494/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 PTGS2 2833/4885ESR1 2119/4885ADRA2A 419/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 PTGS2 3083/4885ESR1 2961/4885ADRA2A 1322/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 PTGS2 2833/4885ESR1 2119/4885ADRA2A 419/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 PTGS2 2194/4885ESR1 3112/4885ADRA2A 2001/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 PTGS2 2833/4885ESR1 2119/4885ADRA2A 419/4885

“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.