Sugi Predict

Sugi Predict / Compounds / SCHEMBL2011273

SCHEMBL2011273

SCHEMBL2011273

Cc1ccc(C(N)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.49
▸ PNMT P11086 1/20 0.49
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ GAA P10253 3/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ FFAR4 Q5NUL3 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
Hydrochloric Acid SCHEMBL2013067 0.98 IDO1 (0.49) NFE2L2PNMTIDO1TDO2HTR2A
SCHEMBL9679731 0.88 PNMT (0.59) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL3836311 0.86 IDO1 (0.60) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL2011801 0.85 PNMT (0.50) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL11876965 0.84 IDO1 (0.63) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL2007188 0.83 IDO1 (0.50) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL2010410 0.83 IDO1 (0.47) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL3993131 0.82 IDO1 (0.49) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL2013413 0.81 IDO1 (0.49) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL2008841 0.80 IDO1 (0.50) PNMTIDO1TDO2HTR2AHTR2C

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583615-B Spiropiperidine glycinamide derivatives HOFFMANN LA ROCHE 2012-07-04 — — CN disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 — — EP disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 — — EP disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 — — US disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 — — US disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 — — US disclosed
CN-101583615-A Spiropiperidine glycinamide derivatives HOFFMANN LA ROCHE (CH) 2009-11-18 — — CN disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 — — EP disclosed
EP-2066620-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. Hoffmann-Roche AG (CH) 2009-06-10 — — EP disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 — — US disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 — — WO disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 — — WO disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 — — US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 — — US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 — — US disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 — — US disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 — — US 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
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 — — 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 (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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 AGXT, SLC1A2, GRIA1 NFE2L2 3542/4885PNMT 389/4885IDO1 290/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 NFE2L2 3334/4885PNMT 1669/4885IDO1 2260/4885

“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.