SCHEMBL3205618

SCHEMBL3205618

CCOC(=O)c1ccc(N(Cc2cnco2)c2ccc(OC(F)(F)F)c(OCC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
HRH4 Q9H3N8 1/20 0.39
AAK1 Q2M2I8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.34
GRM7 Q14831 1/20 0.34
RXRA P19793 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 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
SCHEMBL3213430 0.91 RXRA (0.40) NAMPTHRH4AAK1L3MBTL1POLB
SCHEMBL3192199 0.83 HRH4 (0.39) NAMPTHRH4AAK1ALDH1A1L3MBTL1
SCHEMBL3202322 0.82 RXRA (0.43) HRH4L3MBTL1POLBRXRA
SCHEMBL3201229 0.81 TP53 (0.38) NAMPTHRH4AAK1ALDH1A1L3MBTL1
SCHEMBL3126123 0.80 HRH4 (0.38) NAMPTHRH4AAK1POLBNPSR1
SCHEMBL3205215 0.80 AAK1 (0.37) AAK1ALDH1A1RXRAIMPDH2
SCHEMBL3192998 0.79 TSHR (0.46) HRH4AAK1ALDH1A1L3MBTL1RXRA
SCHEMBL3215544 0.79 TSHR (0.40) NAMPTHRH4AAK1ALDH1A1L3MBTL1
SCHEMBL3123335 0.78 RXRA (0.42) HRH4AAK1NPSR1KMT2ARXRA
SCHEMBL3200044 0.78 TSHR (0.52) HRH4AAK1ALDH1A1L3MBTL1RXRA

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 2 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 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 NAMPT 916/4885HRH4 442/4885AAK1 2805/4885

“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.