SCHEMBL2817211

SCHEMBL2817211

O=C(c1cnc[nH]1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.53
KDM5A P29375 1/20 0.52
HRH3 Q9Y5N1 1/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TNKS O95271 1/20 0.39
NAMPT P43490 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL14085271 0.86 HRH3 (0.53) RBP4KDM5AHRH3HPGDHRH2
SCHEMBL13779961 0.84 RBP4 (0.56) RBP4KDM5AHRH3HRH2HRH1
SCHEMBL6348312 0.84 RBP4 (0.50) RBP4KDM5AHPGDALDH1A1SMN1; SMN2
SCHEMBL28206818 0.80 KDM5A (0.55) RBP4KDM5AHRH3NAMPT
SCHEMBL5162036 0.78 KDM5A (0.41) RBP4KDM5AHRH3ALDH1A1TP53
SCHEMBL30772932 0.77 KDM5A (0.62) RBP4KDM5AHRH3HRH2HRH1
SCHEMBL30498933 0.77 KDM5A (0.62) RBP4KDM5AHRH3HRH2HRH1
SCHEMBL5163311 0.77 KDM5A (0.40) RBP4KDM5AHRH3HPGDALDH1A1
SCHEMBL20924803 0.74 RAB9A (0.48) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12233287 0.74 KDM5A (0.52) RBP4KDM5AHRH3HRH2HRH1

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 10 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
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 RBP4 1112/4885KDM5A 990/4885HRH3 1572/4885

“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.