SCHEMBL3732407

SCHEMBL3732407

Cc1ccc2c(c1)C(NC(=O)NCCCl)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.49
EPHX2 P34913 4/20 0.48
HTT P42858 1/20 0.47
PDE10A Q9Y233 2/20 0.44
DHODH Q02127 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR2 P41597 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL4014048 0.88 TRPV1 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL3731433 0.82 EPHX2 (0.69) EPHX2HTTDHODHKMT2AALDH1A1
SCHEMBL4710669 0.78 CA12 (0.57) TRPV1PDE10AKMT2ALMNAMEN1
SCHEMBL4014154 0.78 TRPV1 (0.50) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017010 0.75 TRPV1 (0.48) TRPV1EPHX2HTTDHODHLMNA
SCHEMBL3735037 0.74 HTT (0.77) EPHX2HTTDHODHKMT2AALDH1A1
SCHEMBL4017499 0.73 EPHX2 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017836 0.72 EPHX2 (0.48) TRPV1EPHX2HTTKMT2ALMNA
SCHEMBL4017021 0.72 MTNR1A (0.54) PDE10A
SCHEMBL23362760 0.72 TRPV1 (0.43) TRPV1PDE10AKMT2AWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 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-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 TRPV1 474/4885EPHX2 585/4885HTT 2263/4885

“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.