SCHEMBL2473036

SCHEMBL2473036

Clc1cccc(NCc2ncc[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.67
ROCK2 O75116 1/20 0.52
GRK2 P25098 1/20 0.52
KLK1 P06870 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 3/20 0.47
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
BRD4 O60885 1/20 0.43
MAOB P27338 2/20 0.42
GRM4 Q14833 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NUDT1 P36639 1/20 0.40
HTR6 P50406 1/20 0.40
EGFR P00533 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
SCHEMBL3171445 0.82 TAAR1 (0.67) TAAR1KLK1KLK5KDM4EALDH1A1
SCHEMBL5693016 0.82 TAAR1 (0.67) TAAR1KLK1KLK5KDM4EALDH1A1
SCHEMBL3155469 0.82 TAAR1 (0.67) TAAR1KLK1KLK5KDM4EALDH1A1
SCHEMBL13451067 0.82 TAAR1 (0.67) TAAR1ROCK2GRK2KLK1KLK5
SCHEMBL2472175 0.81 TAAR1 (0.61) TAAR1ROCK2GRK2KLK1KLK5
SCHEMBL2469427 0.81 TAAR1 (0.70) TAAR1ROCK2GRK2KLK1KLK5
Hydrochloric Acid SCHEMBL5850576 0.81 TAAR1 (0.65) TAAR1KLK1KLK5KDM4EALDH1A1
SCHEMBL3166154 0.80 TAAR1 (1.00) TAAR1ROCK2GRK2KLK1KLK5
SCHEMBL3258998 0.80 TAAR1 (0.59) TAAR1KLK1KLK5BRD4MEN1
SCHEMBL3161329 0.79 TAAR1 (0.55) TAAR1KLK1KLK5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528709-A Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-09 CN claimed
EP-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US claimed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
US-10485786-B2 Pharmaceutical composition for preventing or treating macular degeneration KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-11-26 US disclosed
US-20180221343-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-09 US disclosed
EP-2692345-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION KOREA RES INST CHEMICAL TECH (KR) 2017-07-19 EP disclosed
EP-2692345-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION Korea Research Institute Of Chemical Technology (KR) 2014-02-05 EP disclosed
US-20140018402-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION Catholic University Industry Academic Cooperation Foundation (KR) 2014-01-16 US disclosed
CN-101528709-B Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors F. HOFFMANN-LA ROCHE AG (CH) 2012-02-01 CN disclosed
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
CN-101528709-A Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
CN-1313463-C Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RES INST CHEM TECH (KR) 2007-05-02 CN disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 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 (5 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-20140018402-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION PDE6D, PDE6C, PDE6G TAAR1 1079/4885ROCK2 2245/4885GRK2 1925/4885
US-10485786-B2 Pharmaceutical composition for preventing or treating macular degeneration PDE6D, PDE6C, PDE6G TAAR1 1079/4885ROCK2 2245/4885GRK2 1925/4885
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HTR2C, AHR, HAX1 TAAR1 60/4885ROCK2 1484/4885GRK2 86/4885
US-20180221343-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION PDE6D, PDE6C, PDE6G TAAR1 1079/4885ROCK2 2245/4885GRK2 1925/4885
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR TAAR1 4184/4885ROCK2 57/4885GRK2 1775/4885

“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.