SCHEMBL3201995

SCHEMBL3201995

CCOc1ccc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 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
SCHEMBL3204089 0.95 TSHR (0.40) HRH4TRPM8KDM4EHDAC6NR1H2
SCHEMBL3205815 0.95 HRH4 (0.38) HRH4TRPM8KDM4EHDAC6PARP15
SCHEMBL3218540 0.93 RXRA (0.40) HRH4TRPM8KDM4EHDAC6PARP15
SCHEMBL3125802 0.92 RAB9A (0.39) HRH4TRPM8KDM4EHDAC6KMT2A
SCHEMBL3219592 0.92 NR1H2 (0.40) HRH4TRPM8KDM4ENR1H2NR1H3
SCHEMBL3205143 0.88 ALDH1A1 (0.38) TRPM8KDM4EHDAC6PARP15PARP10
SCHEMBL3126048 0.87 SREBF1 (0.41) HRH4TRPM8KDM4ENR1H2NR1H3
SCHEMBL3192272 0.87 RXRA (0.43) HRH4TRPM8KDM4ETSHRLTC4S
SCHEMBL3202677 0.85 HDAC6 (0.36) HDAC6ALDH1A1KMT2AMAPK1NPC1
SCHEMBL3126060 0.85 HDAC6 (0.37) HRH4TRPM8HDAC6PARP15PARP10

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 HRH4 442/4885TRPM8 3474/4885KDM4E 162/4885

“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.