SCHEMBL13865815

SCHEMBL13865815

COc1cccc(C(=O)N2CCCC(c3nc4c(cnn4C4CCCCC4)c(=O)[nH]3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 13/20 0.57
THRB P10828 1/20 0.52
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE2A O00408 2/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13865803 0.87 PDE9A (0.47) PDE9AHPGDGAA
SCHEMBL13865845 0.86 HPGD (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865847 0.85 THRB (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865817 0.84 PDE9A (0.56) PDE9APDE2ACYP3A4CYP2C9CYP2C19
SCHEMBL13865863 0.82 PDE9A (0.57) PDE9A
SCHEMBL13865859 0.82 THRB (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13866012 0.82 PDE9A (0.65) PDE9A
SCHEMBL13865825 0.82 PDE9A (0.50) PDE9AHPGDALDH1A1
SCHEMBL13865862 0.82 PDE9A (0.55) PDE9AHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL13865749 0.79 PDE9A (0.54) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885THRB 4184/4885HPGD 132/4885

“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.