SCHEMBL16211550

SCHEMBL16211550

[CH2]C(C)(F)CN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
CXCR4 P61073 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL27141666 0.82 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL92632 0.82 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL29165085 0.80 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL26537607 0.78 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30341043 0.77 SIGMAR1 (0.35) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL2102695 0.77 POLB (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL5652 0.77 POLB (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1104721 0.77 SIGMAR1 (0.44) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Bromide SCHEMBL2121063 0.75 POLB (0.37) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1922905 0.75 SMN1; SMN2 (0.37) SIGMAR1ALDH1A1SMN1; SMN2POLBCXCR4

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 5 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
EP-2991982-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-03-09 EP disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 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 (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 SIGMAR1 2318/4885ALDH1A1 1381/4885HTT 58/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SIGMAR1 2318/4885ALDH1A1 1381/4885HTT 58/4885

“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.