SCHEMBL4153836

SCHEMBL4153836

COc1cc(OCC(C)C)nc(N(c2ccc(N(C)C)cc2)C2CCNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.40
KDR P35968 5/20 0.40
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR4 P22455 4/20 0.40
SLC6A2 P23975 9/20 0.37
SLC6A4 P31645 9/20 0.37
SLC6A3 Q01959 4/20 0.36
CALM1 P0DP23 1/20 0.33
HTR2A P28223 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
FLT3 P36888 2/20 0.32
MC4R P32245 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4134857 0.79 SLC6A2 (0.39) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL4146672 0.63 FGFR1 (0.39) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL4147272 0.62 FGFR1 (0.40) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL31023685 0.61 TDP1 (0.44) SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL4146681 0.59 SLC6A2 (0.41) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL8246543 0.59 FGFR1 (0.37) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL20789939 0.59 GABRP (0.40) MEN1KMT2A
SCHEMBL31023843 0.58 ALDH1A1 (0.40) SLC6A2SLC6A4HTR2ATDP1MEN1
SCHEMBL5996324 0.58 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL23360607 0.57 HPGDS (0.54) FGFR3KDRFGFR1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 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-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B FGFR3 2047/4885KDR 1042/4885FGFR1 2718/4885

“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.