SCHEMBL13154804

SCHEMBL13154804

COCCCc1cc(C(C)C)c(Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
TLR8 Q9NR97 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
JAK2 O60674 1/20 0.31
CYP3A4 P08684 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL665101 0.87 REN (0.36) RENSMN1; SMN2HTTHSD17B10TLR8
SCHEMBL8037049 0.80 SMN1; SMN2 (0.37) RENSMN1; SMN2HTTHSD17B10TLR8
SCHEMBL4686191 0.77 REN (0.34) RENCYP3A4ALDH1A1
SCHEMBL91265 0.77 REN (0.41) RENSMN1; SMN2HTTHSD17B10TLR8
SCHEMBL78902 0.76 LMNA (0.41) RENSMN1; SMN2HTTHSD17B10TLR8
SCHEMBL20642297 0.75 LMNA (0.32) P2RX3P2RX2
SCHEMBL662543 0.75 ALDH1A1 (0.35) RENSMN1; SMN2HTTHSD17B10TLR8
SCHEMBL13154801 0.72 CYP2C8 (0.39) RENSMN1; SMN2TRPV1CYP3A4
SCHEMBL24650722 0.72 HCAR3 (0.43) SMN1; SMN2HSD17B10P2RX3P2RX2CYP3A4
SCHEMBL662621 0.71 REN (0.35) RENSMN1; SMN2HTTHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 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-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885SMN1; SMN2 4691/4885HTT 4255/4885

“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.