SCHEMBL7115774

SCHEMBL7115774

CCN(CC(O)c1cccc2cc(C)c(-c3ccccc3)nc12)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ATM Q13315 1/20 0.33
PDK1 Q15118 3/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSA P10619 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL7121500 0.87 PDE10A (0.43) PDE10APDE1APDE1BPDE1CATM
Hydrochloric Acid SCHEMBL7118613 0.86 PDE10A (0.42) PDE10APDE1APDE1BPDE1CPDK1
SCHEMBL7211975 0.81 PDE10A (0.48) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7211972 0.81 PDE10A (0.48) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7210617 0.81 PDE10A (0.43) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7122691 0.81 PARP1 (0.40) NPC1RAB9ACTSAALDH1A1KDM4E
SCHEMBL7583319 0.76 PDE10A (0.43) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7215272 0.72 PDE10A (0.39) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7215268 0.72 PDE10A (0.39) PDE10APDE1APDE1BPDE1CATM
SCHEMBL7996483 0.71 CYP2D6 (0.43) ATMALDH1A1KDM4E

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-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2003-05-22 US claimed
EP-1242381-A2 2-PHENYL-QUINOLINE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 EP claimed
WO-2001044197-A2 2-PHENYL-QUINOLINE DERIVATIVES AND THEIR USE AS CONTRACTING AGENT FOR SMOOTH MUSCLES SANOFI-SYNTHELABO (FR) 2001-06-21 WO claimed
US-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2003-05-22 US disclosed
EP-1242381-A2 2-PHENYL-QUINOLINE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
WO-2001044197-A2 2-PHENYL-QUINOLINE DERIVATIVES AND THEIR USE AS CONTRACTING AGENT FOR SMOOTH MUSCLES SANOFI-SYNTHELABO (FR) 2001-06-21 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 (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-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof CYP2F1, CYP4F2, CYP4F3 PDE10A 2739/4885PDE1A 4009/4885PDE1B 3239/4885

“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.