SCHEMBL3999911

SCHEMBL3999911

NC(c1ccccc1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.55
TDO2 P48775 3/20 0.55
GAA P10253 1/20 0.49
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HRH1 P35367 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL17842003 0.87 IDO1 (0.43) IDO1TDO2GAACES2CES1
SCHEMBL17842404 0.85 IDO1 (0.47) IDO1TDO2GAAOPRM1OPRD1
SCHEMBL17842282 0.84 ADRB2 (0.42) IDO1TDO2GAA
SCHEMBL9729013 0.84 HTR2A (0.41) IDO1TDO2GAADPP4CES2
SCHEMBL694825 0.84 IDO1 (0.41) IDO1TDO2GAACES2CES1
SCHEMBL9719141 0.83 DPP4 (0.55) DPP4F2
Hydrochloric Acid SCHEMBL32690499 0.82 IDO1 (0.43) IDO1TDO2GAA
SCHEMBL693956 0.79 IDO1 (0.41) IDO1TDO2GAADPP4F2
SCHEMBL10559802 0.79 CFTR (0.47) IDO1TDO2GAA
SCHEMBL12789396 0.77 DPP4 (0.44) IDO1TDO2GAADPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771332-B1 Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS MERCK CANADA INC (CA) 2016-06-29 EP disclosed
EP-2066620-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed
US-4865764-A 5-aryl-11-substituted-5H,11H-pyrrolo[2,1-][1,4]benzoxazepines as hypotensive agents HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-09-12 US disclosed
EP-0300356-A1 5-Aryl-11-substituted-5H, 11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-25 EP disclosed
US-4794110-A ENANTIOMORPHS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-27 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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 AGXT, SLC1A2, GRIA1 IDO1 290/4885TDO2 809/4885GAA 497/4885

“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.