SCHEMBL224516

SCHEMBL224516

OC(Cc1ccccc1)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.39
CYP1A2 P05177 1/20 0.37
TRPA1 O75762 2/20 0.37
CPA1 P15085 1/20 0.36
EPHX1 P07099 1/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SLC6A2 P23975 3/20 0.34
TAAR1 Q96RJ0 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAOA P21397 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL10739591 0.85 CYP2C19 (0.41) SLC6A2SLC6A4SLC6A3ANPEP
SCHEMBL10738693 0.83 NR3C2 (0.33) IDO1
SCHEMBL14416002 0.82 SLC15A1 (0.40) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL9121119 0.82 FAAH (0.45) TRPA1
SCHEMBL10744668 0.81 TAAR1 (0.37) IDO1CYP1A2ALPITAAR1
SCHEMBL9570053 0.81 CYP1A2 (0.36) CYP1A2CPA1EPHX1ALPIPKM
SCHEMBL1484177 0.81 SLC6A2 (0.49) CYP1A2EPHX1SLC6A2TAAR1SLC6A4
SCHEMBL10743814 0.79 SLC6A2 (0.34) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8762076 0.79 CPA1 (0.51) CYP1A2CPA1EPHX1ALPIPKM
SCHEMBL10744482 0.79 IDO1 (0.36) IDO1SLC6A2TAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
CN-101578271-B 4-imidazolines as taar's ligands HOFFMANN LA ROCHE 2013-06-19 CN disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-4684659-A Antimypertensive substituted imidazoles FARMOS-YHTYMA OY (FI) 1987-08-04 US disclosed
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US disclosed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP disclosed
EP-0034473-A2 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 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 (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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 IDO1 114/4885CYP1A2 435/4885TRPA1 164/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 IDO1 114/4885CYP1A2 435/4885TRPA1 164/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 IDO1 114/4885CYP1A2 435/4885TRPA1 164/4885

“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.