SCHEMBL1019803

SCHEMBL1019803

FC(F)(F)c1ccc2c(n1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
ASIC3 Q9UHC3 2/20 0.40
PNMT P11086 7/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
HTR2C P28335 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
ADRB1 P08588 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36

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 SCHEMBL3881128 0.98 CYP3A4 (0.40) CYP3A4ASIC3PNMTADRA2AADRA2B
SCHEMBL4016057 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BADRB1
SCHEMBL1996608 0.86 HTR2C (0.42) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL3884326 0.84 HTR2C (0.39) ASIC3HTR2CHTR2AHTR2BADRB1
SCHEMBL20038293 0.83 PNMT (0.41) CYP3A4ASIC3PNMTADRA2AADRA2B
SCHEMBL13853275 0.82 CYP3A4 (0.42) CYP3A4ASIC3PNMTADRA2AADRA2B
SCHEMBL29875556 0.74 SORT1 (0.40) ADRA2AADRA2BADRA2CHTR2CHTR2A
SCHEMBL16220610 0.74 CYP3A4 (0.45) CYP3A4ASIC3PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL2913654 0.74 ASIC3 (0.46) CYP3A4ASIC3HTR2CHTR2AHTR2B
SCHEMBL23388029 0.73 CYP3A4 (0.44) CYP3A4ASIC3PNMTADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220641-A1 1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 USEFUL FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2024-10-24 WO disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
WO-2023064587-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
CN-107207532-B Nitroimidazole derivatives against tuberculosis 南京明德新药研发股份有限公司 2019-07-30 CN disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-2183250-B1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL INC (US) 2011-01-12 EP disclosed
EP-2183250-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International, Inc. (US) 2010-05-12 EP disclosed
US-20090170885-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2009-07-02 US disclosed
US-20090170885-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2009-07-02 US disclosed
WO-2009018466-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2009-02-05 WO disclosed
WO-2009018466-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2009-02-05 WO disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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 (7 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CYP3A4 276/4885ASIC3 580/4885PNMT 1801/4885
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CYP3A4 1325/4885ASIC3 4584/4885PNMT 199/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 CYP3A4 844/4885ASIC3 4741/4885PNMT 442/4885
US-20090170885-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ11, KCNQ5, KCNJ1 CYP3A4 750/4885ASIC3 368/4885PNMT 1919/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CYP3A4 1325/4885ASIC3 4584/4885PNMT 199/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 CYP3A4 1325/4885ASIC3 4584/4885PNMT 199/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 CYP3A4 844/4885ASIC3 4741/4885PNMT 442/4885

“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.