SCHEMBL1751663

SCHEMBL1751663

COC(=O)NCCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
EPHX1 P07099 2/20 0.41
MAPK1 P28482 2/20 0.41
REN P00797 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL1751304 0.89 KDM4E (0.48) TSHRKMT2AEPHX1MAPK1REN
SCHEMBL1751524 0.89 TSHR (0.61) TSHRKMT2AMEN1RENSMN1; SMN2
SCHEMBL8003171 0.87 REN (0.43) TSHRKMT2AMEN1EPHX1MAPK1
SCHEMBL2635861 0.83 SIGMAR1 (0.44) TSHRKMT2AMEN1MAPK1REN
Acetic Acid SCHEMBL3038286 0.82 REN (0.40) TSHRKMT2AMAPK1RENKDM4E
SCHEMBL3088350 0.82 TAAR1 (0.44) TSHRKMT2AMEN1MAPK1KDM4E
SCHEMBL3085141 0.81 REN (0.42) TSHRKMT2AMEN1EPHX1MAPK1
SCHEMBL10186629 0.81 KDM4E (0.39) TSHRKMT2AMEN1MAPK1REN
SCHEMBL1751401 0.81 REN (0.43) TSHRKMT2AMEN1MAPK1REN
SCHEMBL662625 0.81 KCNH2 (0.40) TSHRKMT2AMEN1RENKDM4E

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 4 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 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 TSHR 1994/4885KMT2A 1663/4885MEN1 851/4885

“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.