SCHEMBL1750833

SCHEMBL1750833

CCC(=O)NCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
TSHR P16473 2/20 0.43
ERCC1 P07992 2/20 0.42
ERCC4 Q92889 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
REN P00797 1/20 0.41
PTGES O14684 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 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
SCHEMBL1750883 0.87 TSHR (0.44) P2RX7TSHRERCC1ERCC4SMN1; SMN2
SCHEMBL1751194 0.86 ERCC1 (0.49) ERCC1ERCC4SMN1; SMN2LMNAHPGD
SCHEMBL1751524 0.86 TSHR (0.61) P2RX7TSHRSMN1; SMN2LMNAREN
SCHEMBL2635819 0.85 EPHX2 (0.50) P2RX7ERCC1ERCC4SMN1; SMN2LMNA
SCHEMBL1750880 0.84 REN (0.42) P2RX7TSHRERCC1ERCC4LMNA
SCHEMBL1751195 0.84 HSD17B2 (0.43) P2RX7ERCC1ERCC4LMNAREN
SCHEMBL1750408 0.82 TSHR (0.50) P2RX7TSHRERCC1ERCC4SMN1; SMN2
SCHEMBL2635104 0.82 POLB (0.50) SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4684557 0.81 EPHX2 (0.45) ERCC1ERCC4SMN1; SMN2LMNAHPGD
SCHEMBL24258323 0.81 KMT2A (0.47) SMN1; SMN2MEN1KMT2ARAB9A

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 10 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
CN-101379033-A Secondary amines ACTELION PHARMACEUTICALS LTD (CH) 2009-03-04 CN 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
CN-101379033-A Secondary amines ACTELION PHARMACEUTICALS LTD (CH) 2009-03-04 CN 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 P2RX7 1294/4885TSHR 1994/4885ERCC1 4387/4885

“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.