SCHEMBL2365286

SCHEMBL2365286

Cc1cc(C(F)(F)F)nn1CC(=O)N1CC2CN(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.41
CCR1 P32246 1/20 0.36
GAA P10253 1/20 0.36
CXCR3 P49682 3/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL15230699 0.90 FAAH (0.40) FAAHCCR1GAACXCR3POLB
SCHEMBL15231469 0.86 FAAH (0.42) FAAHCCR1GAACXCR3KDM4E
SCHEMBL16225000 0.86 CCR1 (0.36) FAAHCCR1GAAPOLBKDM4E
SCHEMBL15231293 0.85 FAAH (0.40) FAAHCCR1GAAPOLBKDM4E
SCHEMBL15230350 0.85 FAAH (0.38) FAAHCCR1GAACXCR3POLB
SCHEMBL15230849 0.85 FAAH (0.41) FAAHCCR1GAACXCR3
SCHEMBL15230209 0.84 FAAH (0.39) FAAHCCR1GAACXCR3
SCHEMBL120216 0.84 FAAH (0.49) FAAH
SCHEMBL14908866 0.84 FAAH (0.49) FAAH
SCHEMBL123112 0.84 FAAH (0.49) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521450-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2015-02-25 EP claimed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US claimed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US claimed
EP-2521450-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2015-02-25 EP disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
EP-2521450-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. Du Pont De Nemours And Company (US) 2012-11-14 EP disclosed
WO-2011085170-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 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 (1 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-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 FAAH 2751/4885CCR1 1086/4885GAA 168/4885

“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.