SCHEMBL15058403

SCHEMBL15058403

c1cnc2cc3c(cc2c1)OCCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CASP6 P55212 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CASP1 P29466 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CASP7 P55210 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL11083139 0.89 NPC1 (0.47) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL30422437 0.80 RIPK1 (0.52) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL4795864 0.80 ALDH1A1 (0.45) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL4793575 0.80 ALDH1A1 (0.45) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL16713445 0.78 NPC1 (0.48) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL22743877 0.76 SSTR4 (0.38) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL29442664 0.76 SSTR4 (0.38) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL22743792 0.76 SSTR4 (0.40) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL29350099 0.76 NPC1 (0.65) RAB9ANPC1POLBPDGFRBPDGFRA
SCHEMBL150476 0.76 NPC1 (0.65) RAB9ANPC1POLBPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801878-B2 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-10-31 US disclosed
US-20160303120-A1 Quinoline Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2016-10-20 US disclosed
US-20150376186-A1 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-12-31 US disclosed
US-9216986-B1 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-12-22 US disclosed
EP-2794606-A1 QUINOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2014-10-29 EP disclosed
WO-2013092974-A1 QUINOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-06-27 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-20150376186-A1 Quinoline derivatives as PDE10A enzyme inhibitors PDE5A, PDE12, PDE3B RAB9A 317/4885NPC1 1498/4885POLB 897/4885
US-20160303120-A1 Quinoline Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE12 RAB9A 295/4885NPC1 1314/4885POLB 853/4885

“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.