SCHEMBL3132076

SCHEMBL3132076

CCOc1cc(N(Cc2cccnc2)c2cccc(C(=O)O)c2)ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.44
MRGPRX4 Q96LA9 2/20 0.41
PDE4B Q07343 2/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
DHODH Q02127 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RXRA P19793 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL3120680 0.93 RXRA (0.42) GRM2PDE4BLMNATP53DHODH
SCHEMBL1159028 0.93 GRM2 (0.44) GRM2MRGPRX4PDE4BLMNADHODH
SCHEMBL3118000 0.92 GRM2 (0.44) GRM2MRGPRX4PDE4BLMNARXRA
SCHEMBL3129575 0.91 MRGPRX4 (0.40) MRGPRX4PDE4BLMNAPDE4APDE4C
SCHEMBL3200102 0.91 PDE4B (0.45) GRM2MRGPRX4PDE4BLMNAPDE4A
SCHEMBL3133528 0.90 GRM2 (0.44) GRM2MRGPRX4PDE4BLMNADHODH
SCHEMBL3125310 0.89 GRM2 (0.40) GRM2PDE4BLMNATP53PDE4A
SCHEMBL4186765 0.89 GRM2 (0.47) GRM2MRGPRX4PDE4BPDE4APDE4C
SCHEMBL1157297 0.88 PDE4D (0.54) PDE4BPDE4APDE4CPDE4DRXRA
SCHEMBL3133553 0.88 RXRA (0.44) GRM2PDE4BLMNAPDE4APDE4C

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 6 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

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 3498/4885MRGPRX4 407/4885PDE4B 2/4885

“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.