SCHEMBL3132918

SCHEMBL3132918

CCCCOc1cc(N(Cc2cccnc2)c2ccc(C(=O)O)cc2)ccc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.45
GRM2 Q14416 4/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DHODH Q02127 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3118000 0.93 GRM2 (0.44) RXRAGRM2PDE4B
SCHEMBL3120680 0.92 RXRA (0.42) RXRAGRM2PDE4APDE4BPDE4C
SCHEMBL3131461 0.90 PDE4A (0.47) RXRAGRM2PDE4APDE4BPDE4C
SCHEMBL3129936 0.89 KMT2A (0.39) RXRAGRM2PDE4APDE4BPDE4C
SCHEMBL3123134 0.88 ALDH1A1 (0.46) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL3121497 0.87 RXRA (0.48) RXRAGRM2PDE4APDE4BPDE4C
SCHEMBL3120759 0.87 GRM2 (0.40) RXRAGRM2PDE4B
SCHEMBL3131330 0.86 ALDH1A1 (0.46) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL3120236 0.85 PDE4D (0.58) RXRAPDE4APDE4BPDE4CPDE4D
SCHEMBL3132076 0.85 GRM2 (0.44) RXRAGRM2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B RXRA 2856/4885GRM2 3498/4885PDE4A 1/4885

“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.