SCHEMBL798791

SCHEMBL798791

FC(F)(F)c1cccc2c1CCNC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.56
HTR2C P28335 5/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
PNMT P11086 2/20 0.47
MAOB P27338 1/20 0.47
ASIC3 Q9UHC3 2/20 0.44
PRCP P42785 1/20 0.40

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
SCHEMBL30218840 1.00 CD44 (0.56) CD44HTR2CHTR2AHTR2BPNMT
Hydrochloric Acid SCHEMBL2260124 0.98 CD44 (0.54) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL7639433 0.86 CD44 (0.53) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL329629 0.86 PNMT (0.56) CD44HTR2CHTR2AHTR2BPNMT
Hydrochloric Acid SCHEMBL2259424 0.84 PNMT (0.54) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL8675324 0.83 HTR2C (0.41) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL12903030 0.82 CD44 (0.56) CD44HTR2CPNMTMAOBPRCP
Hydrochloric Acid SCHEMBL2657655 0.81 HTR2C (0.40) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL11337766 0.79 PNMT (0.46) CD44HTR2CHTR2AHTR2BPNMT
SCHEMBL16111166 0.79 CD44 (0.53) CD44HTR2CPNMTMAOBPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079775-B Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid 苏州康润医药有限公司 2022-11-22 CN claimed
CN-112079775-A Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid 苏州康润医药有限公司 2020-12-15 CN claimed
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
WO-2024005526-A1 NOVEL COMPOUND AS NADPH OXIDASE 2 INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 동국대학교 산학협력단 2024-01-04 WO disclosed
CN-112079775-B Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid 苏州康润医药有限公司 2022-11-22 CN disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
CN-112079775-A Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid 苏州康润医药有限公司 2020-12-15 CN disclosed
EP-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent LG LIFE SCIENCES, LTD. (KR) 2008-08-07 US disclosed
EP-1863812-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2007-12-12 EP disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 WO disclosed
US-6465485-B1 SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-15 US disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 (3 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-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent DPP4, DPP7, DPP8 CD44 3437/4885HTR2C 4300/4885HTR2A 4033/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 CD44 3691/4885HTR2C 3698/4885HTR2A 3808/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU CD44 4730/4885HTR2C 11/4885HTR2A 16/4885

“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.