SCHEMBL2067448

SCHEMBL2067448

COC1CCCN1c1[c]nccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.32
CHRNA3 P32297 7/20 0.32
CHRNB2 P17787 5/20 0.31
CHRNA4 P43681 5/20 0.31
CHRNA7 P36544 3/20 0.31
CHRNB1 P11230 3/20 0.31
CHRNB3 Q05901 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRNA2 Q15822 2/20 0.31
CHRNA1 P02708 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
PSIP1 O75475 1/20 0.31
TRPA1 O75762 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNG P07510 1/20 0.31
MAPT P10636 1/20 0.31
CYP2A6 P11509 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL557645 0.83 BCHE (0.39) ALDH1A1LMNAMAPTHRH3
SCHEMBL3516828 0.78 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL20448383 0.75 CHRNB4 (0.33) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL3117399 0.75 CCNE2 (0.41) PDE10A
SCHEMBL3545484 0.74 OPRM1 (0.40)
SCHEMBL12468806 0.74 OGA (0.38) PDE10A
SCHEMBL21326589 0.74 ROCK2 (0.32)
SCHEMBL22282961 0.74 ROCK2 (0.32)
SCHEMBL28106499 0.72 HPGD (0.36) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL3548841 0.72 NOS2 (0.37)

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-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CHRNB4 4170/4885CHRNA3 2135/4885CHRNB2 4227/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CHRNB4 4170/4885CHRNA3 2135/4885CHRNB2 4227/4885

“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.