SCHEMBL1129626

SCHEMBL1129626

COc1ccc2c(c1)NC(=O)C2CCCN

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
IDO1 P14902 1/20 0.48
TP53 P04637 1/20 0.43
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CA2 P00918 3/20 0.39
SYK P43405 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.36

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 SCHEMBL1129043 0.99 HTR7 (0.48) HTR7IDO1TP53CDYL2CDYL
SCHEMBL1656136 0.79 HTR7 (0.64) HTR7HTR2A
SCHEMBL2526545 0.77 CDYL2 (0.52) HTR7TP53CDYL2CDYLCA2
SCHEMBL7383444 0.76 CDYL2 (0.54) HTR7TP53CDYL2CDYLCA2
SCHEMBL28567244 0.76 CDYL2 (0.51) HTR7TP53CDYL2CDYLCA2
SCHEMBL4848196 0.73 CA2 (0.47) TP53CA2KDM4EALDH1A1SMN1; SMN2
SCHEMBL17066902 0.71 TP53 (0.57) HTR7TP53CDYL2CDYLSYK
Hydrochloric Acid SCHEMBL8646249 0.71 HTR2A (0.41) MAPTALDH1A1HPGDHTR2A
SCHEMBL30067792 0.71 TP53 (0.57) HTR7TP53CDYL2CDYLSYK
SCHEMBL18853924 0.70 TP53 (0.51) TP53CDYL2CDYLCA2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 HTR7 3106/4885IDO1 4221/4885TP53 4583/4885

“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.