Sugi Predict

Sugi Predict / Compounds / SCHEMBL222967

SCHEMBL222967

SCHEMBL222967

Clc1ccccc1CCc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ TAAR1 Q96RJ0 3/20 0.44
▸ DAO P14920 3/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ P2RX7 Q99572 1/20 0.39
▸ CDC7 O00311 2/20 0.39
▸ DBF4 Q9UBU7 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ PNMT P11086 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 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
SCHEMBL10836924 0.90 TAAR1 (0.42) KMT2ATAAR1DAOKCNH2P2RX7
SCHEMBL10743388 0.87 TAAR1 (0.47) KMT2ATAAR1DAOP2RX7SLC6A2
SCHEMBL2104755 0.84 HTR2C (0.42) KMT2ATAAR1DAOPNMTIDO1
SCHEMBL10739171 0.81 TAAR1 (0.42) KMT2ATAAR1DAO
SCHEMBL225019 0.79 HTR1A (0.32) TAAR1
SCHEMBL10741610 0.79 TAAR1 (0.44) KMT2ATAAR1DAOP2RX7
SCHEMBL222961 0.76 AR (0.37) —
SCHEMBL15330689 0.76 KMT2A (0.36) KMT2A
SCHEMBL225124 0.76 TAAR1 (0.49) TAAR1DAOKCNH2AOC3IDO1
SCHEMBL222959 0.76 DAO (0.43) DAOCDC7DBF4IDO1

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 KMT2A 1074/4885TAAR1 1/4885DAO 604/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 KMT2A 1220/4885TAAR1 1/4885DAO 692/4885
US-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 KMT2A 1992/4885TAAR1 1/4885DAO 859/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 KMT2A 1992/4885TAAR1 1/4885DAO 859/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 KMT2A 1992/4885TAAR1 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.