SCHEMBL14045979

SCHEMBL14045979

N#Cc1ccc(C2CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP11B2 P19099 1/20 0.44
PSMB5 P28074 1/20 0.40
CTSK P43235 5/20 0.40
HAO1 Q9UJM8 1/20 0.39
CTSS P25774 2/20 0.38
CHRNA7 P36544 1/20 0.38
FASN P49327 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CHEK1 O14757 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL2860558 0.91 KDM4E (0.39) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22047801 0.83 CHEK1 (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL18721893 0.83 ESR2 (0.44) KDM4EGLAHTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL12489003 0.81 CHEK1 (0.49) CHEK1KCNH2
SCHEMBL3237238 0.81 ESR2 (0.46) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL13470580 0.80 FASN (0.39) FASNCHEK1HRH3
SCHEMBL12686799 0.80 FASN (0.39) FASNCHEK1JAK2JAK1KCNH2
SCHEMBL27722944 0.80 HTR3A (0.47) CHEK1KCNH2
SCHEMBL3555307 0.80 CHEK1 (0.33) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29989 0.79 ACACB (0.38) FASNCHEK1JAK2JAK1

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-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 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 (1 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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A KDM4E 1098/4885GLA 4844/4885HTT 550/4885

“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.