SCHEMBL7121500

SCHEMBL7121500

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
GAA P10253 1/20 0.34
PDK1 Q15118 4/20 0.34
ERBB2 P04626 1/20 0.33
CTSA P10619 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MC4R P32245 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 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
Hydrochloric Acid SCHEMBL7118613 0.99 PDE10A (0.42) PDE10ACYP1A2CYP2D6PDE1APDE1B
SCHEMBL7115774 0.87 PDE10A (0.40) PDE10APDE1APDE1BPDE1CKDM4E
SCHEMBL7211975 0.84 PDE10A (0.48) PDE10APDE1APDE1BPDE1CKDM4E
SCHEMBL7211972 0.84 PDE10A (0.48) PDE10APDE1APDE1BPDE1CKDM4E
SCHEMBL7996483 0.84 CYP2D6 (0.43) CYP1A2CYP2D6KDM4ERAD52MEN1
SCHEMBL7997533 0.81 CYP1A2 (0.41) CYP1A2CYP2D6KDM4ERAD52MEN1
SCHEMBL7997535 0.81 CYP1A2 (0.41) CYP1A2CYP2D6KDM4ERAD52MEN1
SCHEMBL7210617 0.79 PDE10A (0.43) PDE10APDE1APDE1BPDE1CKDM4E
SCHEMBL8003716 0.76 METAP2 (0.45) CYP1A2CYP2D6KDM4ERAD52GAA
SCHEMBL7215268 0.75 PDE10A (0.39) PDE10APDE1APDE1BPDE1CKDM4E

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 4 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
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 2739/4885CYP1A2 18/4885CYP2D6 5/4885

“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.