SCHEMBL662701

SCHEMBL662701

COCCc1ccc(Cl)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
REN P00797 5/20 0.37
KCNH2 Q12809 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ENPP2 Q13822 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.34
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL91283 0.84 GPR84 (0.44) TSHRRENKCNH2HPGDALDH1A1
SCHEMBL321307 0.80 CNR1 (0.46) ALDH1A1PNMTTAAR1MAPTIGF1R
SCHEMBL660708 0.80 SLC6A4 (0.47) TSHRKCNH2HTT
SCHEMBL16771200 0.80 PNMT (0.55) TSHRKCNH2HPGDALDH1A1PNMT
SCHEMBL1244867 0.80 KDM4E (0.47) TSHRALDH1A1CA2PNMTTAAR1
SCHEMBL8251205 0.78 HTR1A (0.44) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL31621229 0.77 RECQL (0.43) TSHRHPGDPNMTTAAR1ENPP2
SCHEMBL8037422 0.77 GPR84 (0.41) TSHRKCNH2HPGDALDH1A1CA2
SCHEMBL15471848 0.77 TAAR1 (0.62) ALDH1A1PNMTTAAR1MAPTLMNA
SCHEMBL667234 0.76 NR3C1 (0.43) TSHRRENKCNH2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 TSHR 2526/4885REN 1/4885KCNH2 1215/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT TSHR 3553/4885REN 1/4885KCNH2 1536/4885

“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.