SCHEMBL2535928

SCHEMBL2535928

COc1ccc2ncc(F)c(CBr)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
MAPT P10636 1/20 0.40
GRM1 Q13255 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL5813519 0.85 KCNH2 (0.43) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2533923 0.85 KCNH2 (0.46) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL27579215 0.83 KCNH2 (0.46) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6267955 0.83 KCNH2 (0.48) KCNH2LMNASLC2A1
SCHEMBL4849713 0.82 KCNH2 (0.43) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4849696 0.82 KCNH2 (0.41) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2946799 0.80 LMNA (0.43) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL4851061 0.79 ROCK2 (0.44) KCNH2LMNAMAPK1
SCHEMBL6269991 0.78 LMNA (0.46) KCNH2LMNAKDM4EMAPTMAPK1
SCHEMBL5706839 0.77 CYP17A1 (0.44) HTR1AADRA1DADRA1AADRA1BLMNA

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
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
EP-2094267-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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 (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-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 KCNH2 296/4885HTR1A 937/4885ADRA1D 273/4885

“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.