SCHEMBL6347388

SCHEMBL6347388

c1ccc(-c2ccc3c(c2)CCNC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 6/20 0.65
PNMT P11086 2/20 0.59
CD44 P16070 1/20 0.59
MAOB P27338 1/20 0.59
CD274 Q9NZQ7 4/20 0.56
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
PARP10 Q53GL7 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PRCP P42785 1/20 0.49
CYP3A4 P08684 1/20 0.46

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
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4892220 0.93 PNMT (0.66) ASIC3PNMTCD44MAOBCD274
SCHEMBL30593253 0.93 PNMT (0.59) ASIC3PNMTCD44MAOBDRD2
SCHEMBL4663734 0.93 PNMT (0.59) ASIC3PNMTCD44MAOBDRD2
SCHEMBL8676339 0.84 TYRO3 (0.50) ASIC3PNMTCD44MAOBCD274
SCHEMBL29543554 0.84 TYRO3 (0.50) ASIC3PNMTCD44MAOBCD274
Biphenyl SCHEMBL27799394 0.84 PNMT (0.83) ASIC3PNMTCD44MAOBPRCP
SCHEMBL28274279 0.84 ASIC3 (0.63) ASIC3PNMTCD44MAOBCD274
SCHEMBL8323150 0.84 ASIC3 (0.78) ASIC3PNMTCD44MAOBCD274
Hydrochloric Acid SCHEMBL7807038 0.82 ASIC3 (0.76) ASIC3PNMTCD44MAOBCD274
SCHEMBL1010614 0.82 ASIC3 (0.61) ASIC3PNMTCD44MAOBCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed
CN-116789641-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2023-09-22 CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 WO disclosed
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 US disclosed
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-05-15 US disclosed
EP-1292576-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-19 EP disclosed
US-6506773-B2 For therapy of cancer; inflammation; an autoimmune, infectious or ocular disease; or age-related macular degeneration DARWIN DISCOVERY LTD. (GB) 2003-01-14 US disclosed
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 US disclosed
WO-2001087844-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO disclosed
EP-0873317-B1 PYRIMIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-04-11 EP disclosed
EP-0687267-B1 PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR MERCK SHARP & DOHME (GB) 1999-09-01 EP disclosed
EP-0873317-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-10-28 EP disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 US disclosed
US-5688798-A PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
WO-1997013759-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-04-17 WO disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 EP disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 ASIC3 4537/4885PNMT 3432/4885CD44 885/4885
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 ASIC3 46/4885PNMT 4831/4885CD44 219/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 ASIC3 1750/4885PNMT 2044/4885CD44 1667/4885

“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.