SCHEMBL1180595

SCHEMBL1180595

c1ccc(C2CCCn3cncc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNA4 P43681 3/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRNA2 Q15822 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
PSIP1 O75475 1/20 0.36
TRPA1 O75762 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
MAPT P10636 1/20 0.36
CHRNB1 P11230 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTGS1 P23219 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
SCHEMBL1180209 0.87 CYP17A1 (0.41) CYP17A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5572854 0.84 CYP19A1 (0.43) CYP17A1
SCHEMBL27285097 0.84 CYP17A1 (0.42) CYP17A1ALDH1A1
SCHEMBL27285101 0.84 CYP17A1 (0.42) CYP17A1ALDH1A1
SCHEMBL27285997 0.84 CYP17A1 (0.42) CYP17A1ALDH1A1
SCHEMBL5573400 0.84 CYP17A1 (0.42) CYP17A1CHRNB2CHRNB4CHRNA3ALDH1A1
SCHEMBL5573376 0.84 CYP17A1 (0.42) CYP17A1CHRNB2CHRNB4CHRNA3TRPA1
SCHEMBL5573406 0.84 CYP17A1 (0.44) CYP17A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5569845 0.83 CYP17A1 (0.41) CYP17A1ALDH1A1TDP1
SCHEMBL5048062 0.82 CYP19A1 (0.48) 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 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 5/4885CHRNB2 1959/4885CHRNB4 1925/4885
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN CYP17A1 10/4885CHRNB2 2748/4885CHRNB4 2520/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 CYP17A1 13/4885CHRNB2 2921/4885CHRNB4 2788/4885

“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.