SCHEMBL3201568

SCHEMBL3201568

CCCCOc1cc(N(Cc2cccnc2)c2cccc(C(=O)OC(C)(C)C)c2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4B Q07343 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL3129936 0.94 KMT2A (0.39) GRM2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL3125310 0.93 GRM2 (0.40) GRM2LMNAPOLBMAPTKMT2A
SCHEMBL4196553 0.92 GRM2 (0.40) GRM2LMNAPOLBMAPTKMT2A
SCHEMBL3118000 0.90 GRM2 (0.44) GRM2LMNAPOLBMAPTPDE4B
SCHEMBL3122799 0.90 PDE4B (0.42) GRM2L3MBTL1LMNAPOLBMAPT
SCHEMBL3126155 0.89 GRM2 (0.43) GRM2LMNAPOLBMAPTKMT2A
SCHEMBL3216620 0.87 HDAC6 (0.34) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL3120772 0.86 GRM2 (0.38) GRM2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL3120607 0.86 PDE4B (0.39) GRM2LMNAPOLBMAPTKMT2A
SCHEMBL3252475 0.86 TAAR1 (0.39)

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B GRM2 3498/4885L3MBTL1 3388/4885LMNA 3769/4885

“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.