SCHEMBL2741607

SCHEMBL2741607

Clc1cccc(OCc2cnc[nH]2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 2/20 0.57
▸ ADRA1D P25100 1/20 0.57
▸ ADRA1B P35368 1/20 0.57
▸ HRH3 Q9Y5N1 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IDO1 P14902 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
SCHEMBL2741619 0.76 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH3TAAR1
SCHEMBL2741594 0.75 ADRA1A (0.64) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741614 0.75 ADRA1A (0.68) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741609 0.75 ADRA1A (0.64) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741593 0.73 ADRA1A (0.61) ADRA1AADRA1DADRA1BHRH3TAAR1
SCHEMBL2741613 0.72 ADRA1A (0.59) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741608 0.72 ADRA1A (0.59) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741605 0.72 ADRA1A (0.59) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL2741606 0.72 ADRA1A (0.59) ADRA1AADRA1DADRA1BHRH3HRH4
SCHEMBL1846168 0.71 TAAR1 (0.55) ADRA1AADRA1DADRA1BMRGPRX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 — — US 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-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 — — US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 — — US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 — — US 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-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 — — US 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 ADRA1A 59/4885ADRA1D 55/4885ADRA1B 87/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ADRA1A 59/4885ADRA1D 55/4885ADRA1B 87/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ADRA1A 59/4885ADRA1D 55/4885ADRA1B 87/4885

“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.

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