SCHEMBL2808922

SCHEMBL2808922

CCOC(=O)Cc1ccc(N2CCCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
CACNA1H O95180 12/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3684699 0.86 AOC3 (0.54) AOC3CACNA1HSMN1; SMN2HPGDRAB9A
SCHEMBL17316414 0.83 AOC3 (0.54) AOC3CACNA1H
SCHEMBL17316325 0.80 AOC3 (0.51) AOC3CACNA1H
SCHEMBL2806435 0.80 AOC3 (0.59) AOC3CACNA1HALDH1A1LMNA
SCHEMBL30452503 0.79 AOC3 (0.61) AOC3CACNA1HKMT2AALDH1A1LMNA
SCHEMBL2820792 0.78 P2RY12 (0.64) SMN1; SMN2HPGDRAB9ANPC1KDM4E
SCHEMBL11872337 0.77 MAPT (0.54) SMN1; SMN2HPGDRAB9ANPC1KDM4E
SCHEMBL17316306 0.77 AOC3 (0.56) AOC3CACNA1H
SCHEMBL16661072 0.77 PANK3 (0.57) AOC3SMN1; SMN2HPGD
SCHEMBL7469230 0.77 P2RY12 (0.63) SMN1; SMN2HPGDRAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 AOC3 256/4885CACNA1H 1524/4885SMN1; SMN2 4204/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 AOC3 221/4885CACNA1H 1663/4885SMN1; SMN2 3797/4885

“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.