SCHEMBL17618046

SCHEMBL17618046

COC(=O)c1ccc(CN(C(=O)N2CC[C@@H](F)C2)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR2A P28223 1/20 0.39
STAT3 P40763 2/20 0.39
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL17618047 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3TDP1ALDH1A1
SCHEMBL16211373 0.89 SLC6A5 (0.41) KDM4ECNR1SMN1; SMN2
SCHEMBL16211388 0.89 SLC6A5 (0.41) KDM4ECNR1SMN1; SMN2
SCHEMBL16211371 0.89 SLC6A5 (0.41) KDM4ECNR1SMN1; SMN2
SCHEMBL17618044 0.88 RAB9A (0.45) CHRM2CHRM1CHRM3ALDH1A1NPC1
SCHEMBL17618042 0.88 RAB9A (0.45) CHRM2CHRM1CHRM3ALDH1A1NPC1
SCHEMBL17618039 0.83 TDP1 (0.46) TDP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL17618030 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1HPGDMAPK1
SCHEMBL16211292 0.82 HDAC1 (0.49)
SCHEMBL16211290 0.82 HDAC1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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 (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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CHRM2 3441/4885CHRM1 3452/4885CHRM3 4204/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CHRM2 3441/4885CHRM1 3452/4885CHRM3 4204/4885

“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.