SCHEMBL2635482

SCHEMBL2635482

CNC(=O)CCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
EPHX2 P34913 7/20 0.45
PYGL P06737 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 3/20 0.41
PKM P14618 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3088347 0.85 EPHX2 (0.47) EPHX2TP53GAAPKMPLA2G1B
SCHEMBL3093689 0.84 EPHX2 (0.49) KMT2AEPHX2TP53GAAPKM
SCHEMBL2635463 0.83 ERCC1 (0.55) KMT2AEPHX2ALDH1A1LMNA
SCHEMBL1751125 0.83 KMT2A (0.41) KMT2APYGLALDH1A1LMNA
SCHEMBL2635570 0.82 EPHX2 (0.47) KMT2AEPHX2TP53GAAPKM
SCHEMBL2635460 0.82 KDM4E (0.47) KMT2AEPHX2TP53GAAALDH1A1
SCHEMBL2635819 0.81 EPHX2 (0.50) KMT2AEPHX2TP53GAAPKM
SCHEMBL3086062 0.81 EPHX2 (0.45) KMT2AEPHX2TP53GAAPKM
Hydrochloric Acid SCHEMBL4685679 0.81 EPHX2 (0.47) KMT2AEPHX2TP53GAAPKM
SCHEMBL2635473 0.80 EPHX2 (0.51) KMT2AEPHX2TP53GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US claimed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US claimed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP claimed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO claimed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 KMT2A 1663/4885EPHX2 194/4885PYGL 1064/4885

“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.