SCHEMBL2819922

SCHEMBL2819922

O=C1CCCc2ccc(N3CCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP2A6 P11509 1/20 0.47
MAPK1 P28482 2/20 0.46
PRKCI P41743 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL30966019 0.88 MAOA (0.56) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL30641510 0.87 TMEM97 (0.45) ALDH1A1MEN1KMT2AMAPTMAOA
SCHEMBL1237441 0.87 TMEM97 (0.45) ALDH1A1MEN1KMT2AMAPTMAOA
SCHEMBL19521110 0.87 ITGB3 (0.46) ALDH1A1MEN1KMT2AHSD17B10MAPT
Hydrochloric Acid SCHEMBL11455190 0.86 MAOA (0.54) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL15478788 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL19521104 0.81 DRD2 (0.48)
SCHEMBL30966020 0.81 MAOA (0.42) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL30965997 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL1853918 0.79 HSD17B10 (0.52) ALDH1A1MEN1KMT2AHSD17B10MAPT

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 ALDH1A1 289/4885MEN1 4309/4885KMT2A 3271/4885

“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.