SCHEMBL1180209

SCHEMBL1180209

c1cc(C2CCCn3cncc32)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP11B2 P19099 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA2 Q15822 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
PSIP1 O75475 1/20 0.33
TRPA1 O75762 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
SCHEMBL1180595 0.87 CYP17A1 (0.41) CYP17A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5573376 0.84 CYP17A1 (0.42) CYP17A1CHRNB2CHRNB4CHRNA3CYP3A4
SCHEMBL27285097 0.84 CYP17A1 (0.42) CYP17A1DDB1CRBNCYP11B2ALDH1A1
SCHEMBL5573400 0.84 CYP17A1 (0.42) CYP17A1CHRNB2CHRNB4CHRNA3ALDH1A1
SCHEMBL27285101 0.84 CYP17A1 (0.42) CYP17A1DDB1CRBNCYP11B2ALDH1A1
SCHEMBL5572854 0.84 CYP19A1 (0.43) CYP17A1CYP2C19CYP11B2CYP11B1CYP19A1
SCHEMBL27285997 0.84 CYP17A1 (0.42) CYP17A1DDB1CRBNCYP11B2ALDH1A1
SCHEMBL5573406 0.84 CYP17A1 (0.44) CYP17A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5570972 0.84 CYP17A1 (0.45) CYP17A1DDB1CRBNCHRNB2CHRNB4
SCHEMBL5133449 0.82 CYP19A1 (0.48) CYP17A1CYP11B2CYP11B1CYP19A1HRH3

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 8 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-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
EP-1957489-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20070225232-A1 Tetrahydro-Imidazo [1,5-A] Pyridyin Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2007-09-27 US disclosed
WO-2007065942-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-06-14 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 (3 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 5/4885CYP1A2 46/4885CYP2C19 100/4885
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN CYP17A1 10/4885CYP1A2 42/4885CYP2C19 106/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 CYP17A1 13/4885CYP1A2 64/4885CYP2C19 45/4885

“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.