SCHEMBL5569845

SCHEMBL5569845

Brc1cccc(C2CCCn3cncc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
KDM1A O60341 2/20 0.39
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 2/20 0.36
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
RORC P51449 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5572854 0.83 CYP19A1 (0.43) CYP17A1KDM1AHRH3KDM4ETSHR
SCHEMBL1180595 0.83 CYP17A1 (0.41) CYP17A1ALDH1A1TDP1
SCHEMBL5569832 0.82 DRD2 (0.48) CYP17A1DRD2DRD3HRH3TSHR
SCHEMBL5569855 0.81 HTR2C (0.41) CYP17A1DRD2
SCHEMBL5573247 0.77 CHRNB1 (0.41) CYP17A1DRD2DRD4PDE2A
SCHEMBL1180209 0.77 CYP17A1 (0.41) CYP17A1HRH3ALDH1A1TDP1
SCHEMBL5573342 0.77 CYP17A1 (0.45) CYP17A1KDM1A
SCHEMBL1180753 0.75 CYP17A1 (0.48) CYP17A1RORCALDH1A1
SCHEMBL5573406 0.74 CYP17A1 (0.44) CYP17A1ALDH1A1TDP1
SCHEMBL5573376 0.74 CYP17A1 (0.42) CYP17A1KDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680079-B2 Tetrahydro-imidazo [1,5-A] pyridyin derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-03-25 US disclosed
US-20070225232-A1 Tetrahydro-Imidazo [1,5-A] Pyridyin Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2007-09-27 US 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-20070225232-A1 Tetrahydro-Imidazo [1,5-A] Pyridyin Derivatives as Aldosterone Synthase Inhibitors CYP21A2, CYP11B1, REN CYP17A1 5/4885DRD2 4023/4885DRD1 2992/4885

“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.