SCHEMBL1980555

SCHEMBL1980555

CN(C)C(=O)C1=NOC(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PTPN1 P18031 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 3/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
BCL2 P10415 1/20 0.36
FAAH O00519 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RARA P10276 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL3686652 1.00 TSHR (0.50) TSHRPTPN1SMN1; SMN2RAB9ARIPK1
SCHEMBL20718925 0.83 TSHR (0.54) TSHRPTPN1SMN1; SMN2PPARGPPARA
SCHEMBL167443 0.82 TSHR (0.57) TSHRPTPN1PPARGPPARAFAAH
SCHEMBL3679687 0.82 TSHR (0.57) TSHRPTPN1PPARGPPARAFAAH
SCHEMBL3687488 0.80 TSHR (0.51) TSHRPTPN1PPARGPPARAFAAH
SCHEMBL3687444 0.80 TSHR (0.51) TSHRPTPN1PPARGPPARAFAAH
SCHEMBL12906739 0.80 TSHR (0.50) TSHRPTPN1RAB9APPARGPPARA
SCHEMBL29145980 0.79 TSHR (0.50) TSHRPTPN1SMN1; SMN2PPARGPPARA
SCHEMBL19270341 0.79 TSHR (0.50) TSHRPTPN1SMN1; SMN2RIPK1PPARG
SCHEMBL27995744 0.79 TSHR (0.50) TSHRPTPN1SMN1; SMN2RIPK1PPARG

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 19 patents. 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-3239145-A1 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP 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
EP-2187748-B1 FUNGICIDAL COMPOUNDS AND MIXTURES DU PONT (US) 2017-07-05 EP disclosed
EP-2049111-B1 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection DU PONT (US) 2017-05-24 EP disclosed
EP-2712616-B1 Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection DU PONT (US) 2017-04-19 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
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-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-21 US disclosed
EP-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 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 (6 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 TSHR 3187/4885PTPN1 302/4885SMN1; SMN2 3677/4885
US-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, NCEH1 TSHR 2095/4885PTPN1 1729/4885SMN1; SMN2 3811/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 TSHR 3187/4885PTPN1 302/4885SMN1; SMN2 3677/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 TSHR 2769/4885PTPN1 150/4885SMN1; SMN2 2651/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 TSHR 3187/4885PTPN1 302/4885SMN1; SMN2 3677/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 TSHR 3187/4885PTPN1 302/4885SMN1; SMN2 3677/4885

“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.