Sugi Predict

Sugi Predict / Compounds / SCHEMBL2086299

SCHEMBL2086299

SCHEMBL2086299

CC(C)CC(CN)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.56
▸ GABBR2 O75899 2/20 0.52
▸ GABBR1 Q9UBS5 2/20 0.52
▸ HTR2A P28223 2/20 0.50
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ AOC3 Q16853 3/20 0.41
▸ TRPA1 O75762 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL19090082 1.00 TAAR1 (0.56) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL19294780 1.00 TAAR1 (0.56) TAAR1GABBR2GABBR1HTR2ACHRNB2
Hydrochloric Acid SCHEMBL3032167 0.98 TAAR1 (0.54) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL5699189 0.89 TAAR1 (0.39) TAAR1GABBR2GABBR1
SCHEMBL17906493 0.88 CHRNB2 (0.55) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL21610465 0.84 CTSS (0.47) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL21610471 0.84 CTSS (0.47) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL21610473 0.84 CTSS (0.47) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL1539105 0.81 TAAR1 (0.65) TAAR1GABBR2GABBR1HTR2ACHRNB2
SCHEMBL3647917 0.81 ACHE (0.39) TAAR1GABBR2GABBR1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 — — US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO claimed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 — — US disclosed
US-20200123142-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2020-04-23 — — US disclosed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 — — US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 — — US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 — — US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 — — US disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 — — WO disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO 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 (8 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-20200123142-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 TAAR1 2556/4885GABBR2 3292/4885GABBR1 3910/4885
US-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 TAAR1 4061/4885GABBR2 1934/4885GABBR1 2598/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TAAR1 199/4885GABBR2 1318/4885GABBR1 1030/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA TAAR1 961/4885GABBR2 2079/4885GABBR1 2860/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 TAAR1 2556/4885GABBR2 3292/4885GABBR1 3910/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 TAAR1 4268/4885GABBR2 2509/4885GABBR1 3310/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 TAAR1 4066/4885GABBR2 2004/4885GABBR1 2622/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A TAAR1 162/4885GABBR2 309/4885GABBR1 296/4885

“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.