SCHEMBL895673

SCHEMBL895673

COc1cccc(CCCN)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.79
CHRM2 P08172 2/20 0.63
CHRM1 P11229 2/20 0.63
CHRM3 P20309 2/20 0.63
AOC3 Q16853 1/20 0.60
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
MAOB P27338 3/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
SIGMAR1 Q99720 2/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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 SCHEMBL1027480 0.98 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL3285142 0.95 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL27842525 0.93 TAAR1 (0.74) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL3285178 0.93 TAAR1 (0.74) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL7745905 0.90 MAOB (0.65) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL42400 0.89 TAAR1 (1.00) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL29986862 0.88 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002016 0.88 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002162 0.88 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
Hydrochloric Acid SCHEMBL10917318 0.87 TAAR1 (0.96) TAAR1CHRM2CHRM1CHRM3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745718-B Preparation method of delta-hydroxy substituted aromatic acetonitrile derivative 浙江工业大学台州研究院 2024-02-13 CN disclosed
CN-109219604-B Tetrahydroisoquinoline estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2021-09-24 CN disclosed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP disclosed
EP-3440067-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Hoffmann-La Roche AG (CH) 2019-02-13 EP disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
CN-109219604-A Tetrahydroisoquinoline estrogenic agents and application thereof 豪夫迈·罗氏有限公司 2019-01-15 CN disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-9969732-B2 Tetrahydroisoquinoline estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-05-15 US disclosed
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-11-09 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
CN-1329605-A Benzofuran derivatives their preparation and use LUNDBECK & CO AS H (DK) 2002-01-02 CN disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP disclosed
EP-0007716-A1 R-N-(2-phenyl-2-hydroxyethyl)-3-phenylpropyl amines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-02-06 EP 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TAAR1 1029/4885CHRM2 20/4885CHRM1 23/4885
US-20170320871-A1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 TAAR1 668/4885CHRM2 444/4885CHRM1 332/4885

“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.