SCHEMBL170713

SCHEMBL170713

CC(C)CC(N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.70
SLC6A2 P23975 2/20 0.64
TAAR1 Q96RJ0 2/20 0.64
MAOA P21397 1/20 0.64
SLC6A4 P31645 1/20 0.64
SLC6A3 Q01959 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
CYP2A6 P11509 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
ANPEP P15144 2/20 0.59
CYP2D6 P10635 1/20 0.59
SCN4A P35499 2/20 0.53
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
GPR88 Q9GZN0 1/20 0.49

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
SCHEMBL12193965 1.00 EPHX1 (0.70) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL13995055 1.00 EPHX1 (0.70) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1538343 0.89 SLC6A4 (0.68) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL25129263 0.88 GPR88 (0.55) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL20920607 0.85 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL19318065 0.85 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL28656 0.83 EPHX1 (1.00) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL3124409 0.83 EPHX1 (0.64) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL5839457 0.82 CSNK1E (0.53) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL9408790 0.81 ERAP1 (0.51) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 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 (10 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS EPHX1 1352/4885SLC6A2 3041/4885TAAR1 3574/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 EPHX1 4037/4885SLC6A2 2009/4885TAAR1 3266/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 EPHX1 3446/4885SLC6A2 2148/4885TAAR1 4061/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 EPHX1 2835/4885SLC6A2 2309/4885TAAR1 4417/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 EPHX1 4167/4885SLC6A2 2638/4885TAAR1 4268/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 EPHX1 3678/4885SLC6A2 613/4885TAAR1 2556/4885
US-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 EPHX1 3908/4885SLC6A2 2219/4885TAAR1 4226/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK EPHX1 1637/4885SLC6A2 4315/4885TAAR1 1748/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 EPHX1 3376/4885SLC6A2 2296/4885TAAR1 4062/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR EPHX1 2492/4885SLC6A2 428/4885TAAR1 632/4885

“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.