SCHEMBL2114479

SCHEMBL2114479

O=C(N[C@H]1c2cc(Br)ccc2OC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.47
CHRM1 P11229 9/20 0.46
CHRM2 P08172 8/20 0.46
CHRM4 P08173 6/20 0.46
CTSS P25774 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HCRTR2 O43614 1/20 0.40
MAOB P27338 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CTNNB1 P35222 1/20 0.39

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
SCHEMBL2113085 0.89 CHRM1 (0.45) CHRM1CHRM2CHRM4CTSSNPC1
SCHEMBL2610204 0.89 CHRM1 (0.45) CHRM1CHRM2CHRM4CTSSNPC1
SCHEMBL2115295 0.80 CTSS (0.55) DGAT2CTSSNPC1RAB9ATP53
SCHEMBL2732555 0.80 CTSS (0.55) DGAT2CTSSNPC1RAB9ATP53
Hydrochloric Acid SCHEMBL2113519 0.79 CTSS (0.54) DGAT2CTSSNPC1RAB9ATP53
SCHEMBL2115205 0.78 CTSS (0.72) DGAT2CHRM1CHRM2CHRM4CTSS
SCHEMBL2732060 0.78 CTSS (0.72) DGAT2CHRM1CHRM2CHRM4CTSS
SCHEMBL2113907 0.78 CHRM1 (0.54) CHRM1CHRM2CHRM4CTSSNPC1
SCHEMBL2115308 0.76 CHRM1 (0.52) CHRM1CHRM2CHRM4CTSSNPC1
SCHEMBL2610203 0.76 CHRM1 (0.52) CHRM1CHRM2CHRM4CTSSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV DGAT2 3382/4885CHRM1 4241/4885CHRM2 4275/4885

“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.