Sugi Predict

Sugi Predict / Compounds / SCHEMBL903474

SCHEMBL903474

SCHEMBL903474

Clc1cc2c(cn1)CNC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ PNMT P11086 1/20 0.35
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ GABRG1 Q8N1C3 1/20 0.32
▸ GABRG3 Q99928 1/20 0.32
▸ GABRQ Q9UN88 1/20 0.32
▸ TRPM5 Q9NZQ8 1/20 0.31

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
SCHEMBL29971347 1.00 CHRNB2 (0.42) CHRNB2CHRNA4PNMTGABRPGABRD
Hydrochloric Acid SCHEMBL20379721 0.98 CHRNB2 (0.41) CHRNB2CHRNA4PNMTGABRPGABRD
SCHEMBL12090705 0.84 PNMT (0.47) CHRNB2CHRNA4PNMT
SCHEMBL12691564 0.84 PNMT (0.52) PNMT
SCHEMBL29757608 0.84 PNMT (0.52) PNMT
Hydrochloric Acid SCHEMBL12077907 0.82 PNMT (0.46) CHRNB2CHRNA4PNMT
Hydrochloric Acid SCHEMBL30062686 0.82 PNMT (0.46) CHRNB2CHRNA4PNMT
Hydrochloric Acid SCHEMBL12540879 0.82 PNMT (0.50) PNMT
SCHEMBL29973118 0.81 CHRNB2 (0.36) CHRNB2CHRNA4PNMTGABRPGABRD
SCHEMBL26353179 0.81 CHRNB2 (0.36) CHRNB2CHRNA4PNMTGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695243-A1 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-02-18 — — EP disclosed
WO-2024213552-A1 NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 — — WO disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 — — US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 — — US disclosed
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 — — EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 — — US disclosed
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 — — US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 — — US disclosed
WO-2021191837-A1 1,3-DIHYDRO-2H-PYRROLO[3,4-C]PYRIDINE DERIVATIVES AS GABAA Α5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2021-09-30 — — WO disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 — — CN disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 — — EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 — — WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 — — WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 — — 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 (6 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 CHRNB2 4168/4885CHRNA4 3686/4885PNMT 1672/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 CHRNB2 4168/4885CHRNA4 3686/4885PNMT 1672/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 CHRNB2 935/4885CHRNA4 1038/4885PNMT 2017/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 CHRNB2 4121/4885CHRNA4 4138/4885PNMT 4266/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 CHRNB2 4018/4885CHRNA4 4080/4885PNMT 4607/4885
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 CHRNB2 4548/4885CHRNA4 3851/4885PNMT 3006/4885

“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.