SCHEMBL3192199

SCHEMBL3192199

CCOc1ccc(N(Cc2cnco2)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
NAMPT P43490 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
MAPK1 P28482 1/20 0.34
S1PR1 P21453 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL3201229 0.95 TP53 (0.38) HRH4NAMPTIMPDH2IMPDH1HDAC6
SCHEMBL3215544 0.95 TSHR (0.40) HRH4NAMPTIMPDH2IMPDH1KMT2A
SCHEMBL3202834 0.93 RXRA (0.40) HRH4NAMPTIMPDH2IMPDH1HDAC6
SCHEMBL3126123 0.92 HRH4 (0.38) HRH4NAMPTIMPDH2IMPDH1HDAC6
SCHEMBL3255527 0.92 HRH4 (0.38) HRH4NAMPTIMPDH2IMPDH1KMT2A
SCHEMBL3129701 0.87 SREBF1 (0.40) HRH4IMPDH2IMPDH1KMT2AALDH1A1
SCHEMBL3123133 0.87 SREBF1 (0.37) HRH4IMPDH2IMPDH1KMT2AALDH1A1
SCHEMBL3202322 0.87 RXRA (0.43) HRH4POLBL3MBTL1
SCHEMBL3214119 0.86 GPR119 (0.40) IMPDH2HDAC6GPR119AAK1
SCHEMBL3202677 0.85 HDAC6 (0.36) HDAC6KMT2AALDH1A1L3MBTL1MAPK1

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 HRH4 442/4885NAMPT 916/4885IMPDH2 242/4885

“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.