SCHEMBL5570925

SCHEMBL5570925

Cc1sc2ccccc2c1C1CCCn2cncc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CYP17A1 P05093 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FTO Q9C0B1 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL5574210 0.84 FGFR1 (0.34) CYP17A1IDO1TDO2APP
SCHEMBL3384001 0.70 CYP19A1 (0.54)
SCHEMBL5573368 0.68 CHRNB2 (0.49) HTR2A
SCHEMBL1157136 0.67 CYP1A2 (0.49) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9
SCHEMBL1180209 0.67 CYP17A1 (0.41) CYP1A2CYP3A4CYP2C19CYP17A1
SCHEMBL5570972 0.64 CYP17A1 (0.45) ADRA2CCYP17A1IDO1TDO2
SCHEMBL1181102 0.64 SLC6A4 (0.43) CYP17A1
SCHEMBL25432924 0.64 CYP17A1 (0.34) CYP17A1
SCHEMBL5048062 0.63 CYP19A1 (0.48) CYP17A1
SCHEMBL24377497 0.61 CHRNB4 (0.33) CYP17A1

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 3 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 claimed
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 CYP1A2 46/4885CYP2D6 191/4885CYP1A1 73/4885

“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.