SCHEMBL3685853

SCHEMBL3685853

C1=C(c2nc(C3=NOC(c4ccccc4)C3)cs2)CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
DRD3 P35462 5/20 0.51
DRD2 P14416 4/20 0.51
FAAH O00519 14/20 0.44

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
SCHEMBL28014884 0.76 FAAH (0.44) FAAH
Hydrochloric Acid SCHEMBL3682585 0.75 FAAH (0.43) FAAH
SCHEMBL3691853 0.74 KDM4E (0.54) FAAH
SCHEMBL10391406 0.72 DRD4 (0.57) DRD4DRD3DRD2
SCHEMBL3685857 0.70 DRD4 (0.47) DRD4DRD3DRD2
SCHEMBL29728816 0.68 FAAH (0.66) FAAH
SCHEMBL8706372 0.68 DRD4 (1.00) DRD4DRD3DRD2
SCHEMBL27995742 0.67 FAAH (0.70) FAAH
SCHEMBL15491144 0.66 FAAH (0.69) FAAH
Hydrochloric Acid SCHEMBL1978373 0.66 FAAH (0.64) FAAH

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
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 CN disclosed
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
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-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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291556-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-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 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 (5 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 DRD4 3025/4885DRD3 1660/4885DRD2 2794/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 DRD4 3025/4885DRD3 1660/4885DRD2 2794/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 DRD4 1620/4885DRD3 429/4885DRD2 694/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 DRD4 3025/4885DRD3 1660/4885DRD2 2794/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 DRD4 3025/4885DRD3 1660/4885DRD2 2794/4885

“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.