SCHEMBL193192

SCHEMBL193192

CC(C)=CCCc1c[c]c(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
SRC P12931 1/20 0.30
GGPS1 O95749 1/20 0.30
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL3079938 0.75 CYP1A2 (0.46) IDO1SRCTRPV1
SCHEMBL191629 0.72 LPL (0.39)
SCHEMBL107820 0.71 ESR1 (0.54)
SCHEMBL9633727 0.71 NOS3 (0.39) TRPV1
SCHEMBL2594932 0.70
SCHEMBL193524 0.69 SKP2 (0.44)
SCHEMBL9633317 0.69 ALDH1A1 (0.36) TRPV1
SCHEMBL4769318 0.69 TAAR1 (0.45) TRPV1
SCHEMBL3408789 0.69 BACE1 (0.33) TRPV1
SCHEMBL193744 0.69 SLC2A1 (0.32)

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 22 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-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 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
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 (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 IDO1 190/4885SRC 2430/4885GGPS1 935/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 IDO1 410/4885SRC 3693/4885GGPS1 204/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 IDO1 118/4885SRC 3399/4885GGPS1 269/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 IDO1 130/4885SRC 3094/4885GGPS1 101/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 IDO1 190/4885SRC 2430/4885GGPS1 935/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 IDO1 472/4885SRC 1955/4885GGPS1 346/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 IDO1 190/4885SRC 2430/4885GGPS1 935/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 IDO1 186/4885SRC 3117/4885GGPS1 376/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 IDO1 190/4885SRC 2430/4885GGPS1 935/4885

“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.