SCHEMBL2741586

SCHEMBL2741586

COc1cccc(CCc2cnc[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.59
▸ HRH3 Q9Y5N1 3/20 0.55
▸ HRH4 Q9H3N8 2/20 0.55
▸ SSTR4 P31391 3/20 0.54
▸ SSTR3 P32745 2/20 0.54
▸ SSTR1 P30872 1/20 0.54
▸ DAO P14920 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SSTR2 P30874 2/20 0.52

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
SCHEMBL2626821 0.87 HRH3 (0.60) TAAR1HRH3HRH4CYP2D6
SCHEMBL2741587 0.82 DAO (0.56) TAAR1HRH3HRH4SSTR4SSTR3
SCHEMBL631902 0.82 CHRM2 (0.52) TAAR1HRH4LMNACYP1A2CYP3A4
SCHEMBL723511 0.79 TAAR1 (0.77) TAAR1HRH3DAO
SCHEMBL30080050 0.79 TAAR1 (0.77) TAAR1HRH3DAO
SCHEMBL2741589 0.77 TAAR1 (0.65) TAAR1HRH3HRH4SSTR4SSTR3
SCHEMBL2741603 0.77 TAAR1 (0.65) TAAR1HRH3HRH4DAO
SCHEMBL224745 0.76 TAAR1 (1.00) TAAR1HRH3HRH4
SCHEMBL28177088 0.75 HTR1A (0.67) TAAR1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8309309 0.74 ABCB1 (0.66) TAAR1HRH3

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 TAAR1 1/4885HRH3 194/4885HRH4 142/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HRH3 194/4885HRH4 142/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HRH3 194/4885HRH4 142/4885

“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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