SCHEMBL6071337

SCHEMBL6071337

COC(Cc1cccc(Cl)c1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
IDO1 P14902 3/20 0.46
CYP3A4 P08684 2/20 0.46
AGXT P21549 2/20 0.46
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
PLA2G2A P14555 1/20 0.42

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
SCHEMBL23933856 0.86 PPARA (0.54) PNMTPPARGPPARA
SCHEMBL23933859 0.86 PPARA (0.54) PNMTPPARGPPARA
SCHEMBL11304092 0.81 PPARA (0.53) PPARGPPARA
SCHEMBL4780746 0.80 SRR (0.61) PPARGPPARA
Hydrochloric Acid SCHEMBL5754335 0.80 SRR (0.61) PPARGPPARA
Hydrochloric Acid SCHEMBL17205769 0.80 PNMT (0.59) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL31324833 0.80 PNMT (0.64) PNMTIDO1HTR3EHTR3BHTR3A
SCHEMBL15446256 0.79 PNMT (0.51) PNMTIDO1CYP3A4AGXTPPARG
Hydrochloric Acid SCHEMBL27476980 0.78 PNMT (0.57) PNMTIDO1CYP3A4AGXTMAOA
Hydrochloric Acid SCHEMBL27478281 0.78 PNMT (0.57) PNMTIDO1CYP3A4AGXTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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 (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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 PNMT 1318/4885IDO1 554/4885CYP3A4 3742/4885

“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.