SCHEMBL2401009

SCHEMBL2401009

C[N][C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.48
P2RX7 Q99572 1/20 0.44
ACP3 P15309 1/20 0.41
CNR2 P34972 2/20 0.37
PDE2A O00408 1/20 0.37
MC4R P32245 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MPO P05164 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL84477 0.79 P2RX7 (0.50) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL23172133 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL1258401 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL1727762 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL13168657 0.75 ACP3 (0.47) HSD11B1P2RX7ACP3CNR2PDE2A
SCHEMBL13537951 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL7330369 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL2588201 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL2224459 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R
SCHEMBL334979 0.75 P2RX7 (0.47) HSD11B1P2RX7ACP3CNR2MC4R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 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 (2 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-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 HSD11B1 426/4885P2RX7 994/4885ACP3 3172/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 HSD11B1 424/4885P2RX7 862/4885ACP3 2328/4885

“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.