SCHEMBL1148019

SCHEMBL1148019

COC(=O)C1CCC(C#Cc2ccnc3ccc(OC)nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.39
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL1148017 1.00 KCNH2 (0.39) KCNH2PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL5513646 0.79 KDM4E (0.36) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5513644 0.79 KDM4E (0.36) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148040 0.74 KCNH2 (0.47) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148038 0.74 KCNH2 (0.47) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148209 0.73 KCNH2 (0.39) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148210 0.73 KCNH2 (0.39) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148213 0.73 KCNH2 (0.39) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3333253 0.73 NNMT (0.38) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1147916 0.73 KCNH2 (0.60) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP disclosed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 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-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 KCNH2 897/4885PDGFRB 4055/4885PDGFRA 3563/4885

“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.