SCHEMBL43554

SCHEMBL43554

NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.70
LOXL2 Q9Y4K0 1/20 0.67
AGXT P21549 1/20 0.61
CFD P00746 4/20 0.56
AOC3 Q16853 3/20 0.53
HRH3 Q9Y5N1 1/20 0.52
PNMT P11086 1/20 0.52
ENPP2 Q13822 1/20 0.52
CSNK2A1 P68400 2/20 0.52
MAOA P21397 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
F11 P03951 1/20 0.50
KLKB1 P03952 1/20 0.50
F7 P08709 1/20 0.50
TPSB2 P20231 1/20 0.50

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
SCHEMBL29400616 1.00 TAAR1 (0.70) TAAR1LOXL2AGXTCFDAOC3
Hydrochloric Acid SCHEMBL29793666 0.98 TAAR1 (0.67) TAAR1LOXL2AGXTCFDAOC3
Hydrochloric Acid SCHEMBL1237399 0.98 TAAR1 (0.67) TAAR1LOXL2AGXTCFDAOC3
Bromide SCHEMBL1856525 0.98 TAAR1 (0.67) TAAR1LOXL2AGXTCFDAOC3
SCHEMBL28247640 0.98 TAAR1 (0.74) TAAR1LOXL2AGXTCFDAOC3
SCHEMBL27799749 0.98 TAAR1 (0.67) TAAR1LOXL2AGXTCFDAOC3
SCHEMBL3791745 0.93 LOXL2 (0.60) TAAR1LOXL2AGXTCFDHRH3
SCHEMBL3794460 0.91 TAAR1 (0.70) TAAR1LOXL2AGXTCFDHRH3
Benzylamine SCHEMBL11416949 0.90 LOXL2 (0.74) TAAR1LOXL2AGXTCFDAOC3
Biphenyl SCHEMBL27410798 0.90 TAAR1 (0.84) TAAR1LOXL2AGXTHRH3PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114695807-A Composite material, preparation method thereof and light emitting diode TCL科技集团股份有限公司 2022-07-01 CN claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1812004-B1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2011-06-22 EP claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP claimed
WO-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 WO claimed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US claimed
CN-1466573-A 5-phenylbenzylamine compounds, process for their production and intermediates for their synthesis 田边制药株式会社 2004-01-07 CN claimed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
WO-1999031124-A1 CHOLIC ACID-BASED SCAFFOLDS FOR MULTIDIMENSIONAL MOLECULAR PRESENTATION OF PEPTIDES NOVO NORDISK A/S (DK) 1999-06-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B TAAR1 418/4885LOXL2 4752/4885AGXT 1481/4885

“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.