SCHEMBL712372

SCHEMBL712372

CC[CH]Oc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
PPARA Q07869 2/20 0.37
ABCB11 O95342 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3356087 0.83 ALOX5 (0.36) HTR2ACYP1A2CYP3A4PPARAABCB11
SCHEMBL6763475 0.79 CA1 (0.52) CYP3A4TSHRLMNACYP2A6CA1
SCHEMBL2782678 0.79 ACHE (0.44) CYP3A4TSHRLMNAMEN1KMT2A
SCHEMBL7497566 0.78 KDM4E (0.46) HTR2ALMNASLC6A4KCNH2SLC6A2
SCHEMBL27870137 0.78 HTR2A (0.43) HTR2ATSHRMEN1KMT2AMAPT
SCHEMBL7494621 0.77 NFE2L2 (0.42) CYP1A2TSHRMAOBMAOALMNA
SCHEMBL18419988 0.77 LTA4H (0.47) HTR2ACYP1A2CYP3A4TSHRLMNA
SCHEMBL98246 0.76 CA4 (0.42) TSHRLMNA
SCHEMBL7495219 0.75 KMT2A (0.45) HTR2AMAOBLMNAMEN1KMT2A
SCHEMBL23581950 0.74 CHRNB2 (0.43) CYP1A2HPGDCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP claimed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US claimed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO claimed
EP-2922548-A2 SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS FOR MODULATING CELL PROLIFERATION, DIFFERENTIATION AND SURVIVAL Stategics, Inc. (US) 2015-09-30 EP disclosed
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
WO-2014081878-A2 SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS FOR MODULATING CELL PROLIFERATION, DIFFERENTIATION AND SURVIVAL STATEGICS, INC. (US) 2014-05-30 WO disclosed
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor UNIVERSITY OF TEXAS, BOARD OF REGENTS 2014-02-20 US disclosed
US-8258163-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-04 US disclosed
CN-102471258-A 3-phenoxymethylpyrrolidine compounds THERAVANCE INC 2012-05-23 CN disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 US disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
US-4639447-A Azolylnitriles, and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0164088-A2 Azolyl nitriles and fungicides containing them BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed
EP-0129798-A1 Fungicidal azole compounds, their preparation and use BASF Aktiengesellschaft (DE) 1985-01-02 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 (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-20100150840-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR HTR2A 106/4885CYP1A2 647/4885CYP3A4 2188/4885
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR HTR2A 106/4885CYP1A2 647/4885CYP3A4 2188/4885
US-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A HTR2A 1260/4885CYP1A2 2761/4885CYP3A4 3143/4885

“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.