SCHEMBL13865817

SCHEMBL13865817

COc1ccccc1C(=O)N1CCCC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 14/20 0.56
TSHR P16473 2/20 0.47
PDE1C Q14123 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE2A O00408 2/20 0.47
PDE3B Q13370 1/20 0.47

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
SCHEMBL13865827 0.90 PDE9A (0.47) PDE9APDE1CPDE1B
SCHEMBL13865839 0.86 TYK2 (0.52) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL13865823 0.85 TSHR (0.47) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL13865815 0.84 PDE9A (0.57) PDE9ACYP3A4CYP2C9CYP2C19PDE2A
SCHEMBL13865808 0.82 PDE9A (0.46) PDE9APDE1CPDE1B
SCHEMBL13865877 0.82 TSHR (0.47) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL13866015 0.81 PDE9A (0.64) PDE9APDE1C
SCHEMBL13865749 0.81 PDE9A (0.54) PDE9APDE1CPDE1B
SCHEMBL13865759 0.81 PDE9A (0.56) PDE9APDE1CPDE1B
SCHEMBL13865825 0.80 PDE9A (0.50) PDE9ATSHRPDE1CHTTPDE1B

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 13/4885TSHR 4657/4885PDE1C 190/4885

“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.