SCHEMBL2635822

SCHEMBL2635822

CCC(=O)NCc1ccc(Cl)c(CC2(C(N)=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.37
P2RX7 Q99572 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 1/20 0.36
REN P00797 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2635474 0.88 TSHR (0.42) TSHRERCC1ERCC4LMNATP53
SCHEMBL3081027 0.85 HSD11B1 (0.39) TSHRLMNASMN1; SMN2HSD11B1P2RX7
SCHEMBL2636015 0.85 HSD11B1 (0.40) TSHRERCC1ERCC4LMNATP53
SCHEMBL3093697 0.85 SLC6A4 (0.44) TSHRSMN1; SMN2HSD11B1HPGD
SCHEMBL2635464 0.85 ERCC1 (0.44) ERCC1ERCC4LMNASMN1; SMN2HSD11B1
SCHEMBL2635140 0.83 CA2 (0.40) ERCC1ERCC4HSD11B1REN
SCHEMBL2635869 0.81 L3MBTL1 (0.40) SMN1; SMN2HSD11B1REN
SCHEMBL2635103 0.80 MEN1 (0.38) SMN1; SMN2HSD11B1REN
SCHEMBL1750408 0.79 TSHR (0.50) TSHRERCC1ERCC4LMNATP53
SCHEMBL3093508 0.79 PRMT5 (0.47) TP53

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 TSHR 1994/4885ERCC1 4387/4885ERCC4 3991/4885

“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.