SCHEMBL17623735

SCHEMBL17623735

CN1CCN(CC(C)(C)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 2/20 0.35
NR1H2 P55055 1/20 0.35
MC4R P32245 1/20 0.34
CHKA P35790 2/20 0.34
PAOX Q6QHF9 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
TSHR P16473 1/20 0.30
PHGDH O43175 1/20 0.30

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
SCHEMBL15765844 0.85 HTT (0.39) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL2740581 0.82 HTT (0.40) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL17113883 0.81 DRD2 (0.38) LMNASIGMAR1MEN1KMT2A
SCHEMBL20125804 0.79 CACNA1I (0.34)
SCHEMBL24351309 0.79 ALDH1A1 (0.33) ALDH1A1KDM4ELMNACYP3A4ATM
SCHEMBL736240 0.79 HTT (0.41) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL26455581 0.79 HTT (0.41) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL14281269 0.78 HTT (0.38) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL17618013 0.78 CYP3A4 (0.30) CYP3A4
SCHEMBL12391108 0.77 ALDH1A1 (0.36) ALDH1A1KDM4ESIGMAR1MEN1KMT2A

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-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 HTT 58/4885ALDH1A1 1381/4885KDM4E 161/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 HTT 58/4885ALDH1A1 1381/4885KDM4E 161/4885

“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.