SCHEMBL2819403

SCHEMBL2819403

COc1ccc2c(c1)C(=O)C(C)(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
METAP1 P53582 2/20 0.50
MAOB P27338 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CYP19A1 P11511 1/20 0.46
PRNP P04156 1/20 0.46
MAPK14 Q16539 2/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL630002 0.87 SMN1; SMN2 (0.66) SMN1; SMN2METAP1ALDH1A1CYP3A4THRB
SCHEMBL14409344 0.84 HTR2A (0.53) SMN1; SMN2METAP1MAOBALDH1A1ACHE
SCHEMBL2351080 0.83 METAP1 (0.53) SMN1; SMN2METAP1MAOBALDH1A1CYP3A4
SCHEMBL30176810 0.83 METAP1 (0.53) SMN1; SMN2METAP1MAOBALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7205753 0.82 SMN1; SMN2 (0.47) SMN1; SMN2METAP1MAOBALDH1A1CYP3A4
SCHEMBL8779124 0.81 HTR2A (0.51) SMN1; SMN2METAP1MAOBALDH1A1ACHE
SCHEMBL345330 0.80 SMN1; SMN2 (0.81) SMN1; SMN2METAP1MAOBALDH1A1ACHE
SCHEMBL13004977 0.79 SIGMAR1 (0.62) SMN1; SMN2METAP1MAOBCYP19A1
SCHEMBL6799152 0.79 METAP1 (0.49) SMN1; SMN2METAP1MAOBALDH1A1ACHE
SCHEMBL13254665 0.79 SMN1; SMN2 (0.60) SMN1; SMN2METAP1MAOBMAPK1ACHE

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
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US disclosed
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 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 (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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 SMN1; SMN2 3061/4885METAP1 3687/4885MAOB 13/4885
US-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 SMN1; SMN2 4471/4885METAP1 1959/4885MAOB 98/4885
US-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR SMN1; SMN2 1408/4885METAP1 3573/4885MAOB 3975/4885

“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.