SCHEMBL1036268

SCHEMBL1036268

Cc1cccc(CNC2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.68
BACE1 P56817 2/20 0.68
BCHE P06276 1/20 0.61
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2B Q13224 1/20 0.47
CARM1 Q86X55 4/20 0.46
PRMT6 Q96LA8 4/20 0.46
PRMT8 Q9NR22 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
EBP Q15125 1/20 0.45
DHCR7 Q9UBM7 1/20 0.45

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
Hydrochloric Acid SCHEMBL12813443 0.98 ACHE (0.67) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL17896775 0.93 ACHE (0.62) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL14492271 0.93 ACHE (0.65) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL14492276 0.93 ACHE (0.65) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL15587414 0.92 ACHE (0.60) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL14492284 0.91 ACHE (0.63) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL15587413 0.89 ACHE (0.60) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL13137080 0.87 ACHE (0.59) ACHEBACE1BCHEALDH1A1POLB
SCHEMBL15587419 0.87 ACHE (0.71) ACHEBACE1BCHEALDH1A1CARM1
SCHEMBL15587412 0.84 ACHE (0.56) ACHEBACE1BCHEALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
US-10807956-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200172485-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-06-04 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (4 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL ACHE 3949/4885BACE1 4230/4885BCHE 3641/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ACHE 4706/4885BACE1 3929/4885BCHE 4672/4885
US-10807956-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A ACHE 680/4885BACE1 3694/4885BCHE 448/4885
US-20200172485-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A ACHE 680/4885BACE1 3694/4885BCHE 448/4885

“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.