Sugi Predict

Sugi Predict / Compounds / SCHEMBL223834

SCHEMBL223834

SCHEMBL223834

Clc1cccc(CCc2c[nH]cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.47
▸ DAO P14920 3/20 0.47
▸ CDC7 O00311 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ PNMT P11086 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ C3AR1 Q16581 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ AGXT P21549 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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
Histamine SCHEMBL6979443 0.88 TAAR1 (0.63) BACE1TAAR1DAOCDC7DBF4
SCHEMBL2105133 0.85 PNMT (0.43) BACE1TAAR1DAOCDC7DBF4
SCHEMBL223848 0.83 DAO (0.41) BACE1DAOIDO1
SCHEMBL222600 0.81 TAAR1 (0.47) TAAR1DAOIDO1
SCHEMBL224676 0.81 TAAR1 (0.47) TAAR1DAOIDO1AGXT
SCHEMBL5827293 0.81 MAOB (0.53) BACE1
SCHEMBL224352 0.80 DAO (0.41) TAAR1DAOCDC7DBF4AOC3
SCHEMBL1753940 0.79 KCNH2 (0.50) BACE1TAAR1DAO
SCHEMBL224560 0.77 TAAR1 (0.51) BACE1TAAR1DAOAOC3CHRM2
SCHEMBL223971 0.77 TAAR1 (0.51) TAAR1DAOCDC7DBF4IDO1

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 20 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 claimed
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
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 — — EP claimed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 — — US claimed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 — — US disclosed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 — — US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 — — EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 — — WO 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
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 (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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 BACE1 2316/4885TAAR1 1/4885DAO 604/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 BACE1 2353/4885TAAR1 1/4885DAO 692/4885
US-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 BACE1 3777/4885TAAR1 1/4885DAO 859/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 BACE1 3777/4885TAAR1 1/4885DAO 859/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 BACE1 3777/4885TAAR1 1/4885DAO 859/4885

“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.