SCHEMBL755038

SCHEMBL755038

CCN(CC)C(=O)c1cc(Cc2ccc(F)cc2)c(C(C)=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 2/20 0.39
OPRD1 P41143 3/20 0.38
OPRM1 P35372 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSPO P30536 1/20 0.34

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
SCHEMBL753309 0.82 CNR2 (0.40) POLBTDP1APEX1GPR55CNR2
SCHEMBL755492 0.79 RAB9A (0.34) POLBTDP1APEX1RAB9AOPRD1
SCHEMBL755491 0.79 RAB9A (0.34) POLBTDP1APEX1RAB9AOPRD1
SCHEMBL755219 0.78 CNR2 (0.44) POLBRAB9AGPR55CNR2ALDH1A1
SCHEMBL755310 0.78 LIPG (0.43) OPRD1OPRM1GPR55CNR2PDE3B
SCHEMBL751257 0.76 MTNR1A (0.38) GPR55CNR2KMT2APDE3BPDE3A
SCHEMBL753713 0.75 MEN1 (0.43) GPR55CNR2ALDH1A1MEN1KMT2A
SCHEMBL10290270 0.75 CNR2 (0.39) POLBGPR55CNR2KMT2AHTT
SCHEMBL753978 0.74 RET (0.45) RAB9AGPR55CNR2ALDH1A1KMT2A
SCHEMBL25544211 0.74 TDP1 (0.42) POLBTDP1APEX1RAB9AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885TDP1 780/4885APEX1 931/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885TDP1 780/4885APEX1 931/4885

“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.