SCHEMBL2473033

SCHEMBL2473033

NC(c1cccc(Cl)c1)c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 2/20 0.39
F2RL1 P55085 3/20 0.36
CYP19A1 P11511 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP24A1 Q07973 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
NUDT1 P36639 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRM1 P35372 2/20 0.35

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
SCHEMBL698345 0.81 ADRA2A (0.52) TAAR1F2RL1CYP19A1ADRA2AADRA2C
SCHEMBL2472174 0.81 ADRA2A (0.35) ROCK1F2RL1ADRA2AADRA2CADRA2B
SCHEMBL2469423 0.80 FPR2 (0.42) TAAR1F2RL1CYP19A1ADRA2AADRA2C
SCHEMBL4363951 0.80 MTOR (0.47) TAAR1ADRA2AADRA2CADRA2B
SCHEMBL954387 0.78 TAAR1 (0.43) TAAR1F2RL1ADRA2AADRA2CADRA2B
SCHEMBL21645338 0.75 ALDH1A1 (0.48) TAAR1ROCK1OPRM1OPRD1OPRK1
SCHEMBL1845506 0.75 ADRA2A (0.59) CYP3A4CYP2D6ADRA2AADRA2CADRA2B
SCHEMBL3165342 0.75 TAAR1 (0.49) TAAR1ADRA2AADRA2CADRA2B
SCHEMBL6995795 0.73 ALDH1A1 (0.40) F2RL1ADRA2AADRA2CADRA2B
SCHEMBL4150274 0.72 ROCK2 (0.52) TAAR1ROCK1ROCK2CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 4184/4885ROCK1 20/4885ROCK2 57/4885

“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.