SCHEMBL626449

SCHEMBL626449

N#CC1(c2cccc(F)c2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
ALDH1A1 P00352 2/20 0.43
BDKRB1 P46663 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 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
SCHEMBL1018956 0.96 SLC6A4 (0.46) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL1020648 0.95 SLC6A4 (0.49) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL10526309 0.93 KDM1A (0.46) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
Nitrous Acid SCHEMBL7070921 0.88 ALDH1A1 (0.42) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL5483394 0.85 ALDH1A1 (0.40) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL625294 0.85 ICMT (0.44) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL1556970 0.83 ALDH1A1 (0.45) KDM1AKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL4657265 0.82 KMT2A (0.66) KMT2AALDH1A1OPRM1
SCHEMBL18742483 0.81 NPC1 (0.36) KMT2AALDH1A1NPC1LMNATP53
SCHEMBL11705115 0.81 SLC6A3 (0.41) KDM1AKMT2ASLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
EP-3362445-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-08-22 EP disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-5525742-A IDENTIFICATION OF BIOCHEMICAL COMPONENTS FORMING ATP-SENSITIVE POTASSIUM CHANNELS IN SMOOTH MUSCLE CELLS THE UPJOHN COMPANY (US) 1996-06-11 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 KDM1A 2940/4885KMT2A 4568/4885SLC6A4 511/4885
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 KDM1A 146/4885KMT2A 65/4885SLC6A4 3090/4885

“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.