SCHEMBL5113828

SCHEMBL5113828

CN(C)c1ccc(CC(=O)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 2/20 0.50
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10611271 0.83 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4194796 0.82 CA2 (0.46) ALDH1A1TSHRHPGDHSD17B10NPC1
SCHEMBL202439 0.81 CA2 (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL2862421 0.81 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL25660462 0.79 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL8136553 0.79 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1
Hydrochloric Acid SCHEMBL5113831 0.79 CA2 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL3658844 0.79 CA2 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL9333859 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL472272 0.78 F2 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
EP-2142538-B1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2011-10-26 EP disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-7459585-B2 Benzene derivatives and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-12-02 US disclosed
WO-2008100459-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 US disclosed
US-5939419-A HYPOTENSIVE AGENTS AND BRONCHODILATOR AGENTS SCHERING-PLOUGH CORPORATION (US) 1999-08-17 US disclosed
EP-0686157-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1995-12-13 EP disclosed
WO-1994019351-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1994-09-01 WO disclosed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
EP-0283035-B1 BENZOXAZOLE DERIVATIVES AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-11-06 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
US-4948900-A INTERMEDIATES FOR DIABETES THERAPEUTIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
US-4897393-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 US disclosed
EP-0283035-A1 Benzoxazole derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 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 (2 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-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques APP, APBA1, PSEN1 ALDH1A1 3258/4885TSHR 4641/4885MAPK1 4066/4885
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A ALDH1A1 1551/4885TSHR 231/4885MAPK1 1417/4885

“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.