SCHEMBL2610204

SCHEMBL2610204

O=C(N[C@H]1c2cc(Br)ccc2OCC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.45
CHRM2 P08172 6/20 0.45
CHRM4 P08173 4/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CTSS P25774 1/20 0.40
CCR2 P41597 1/20 0.39
CCR3 P51677 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2113085 1.00 CHRM1 (0.45) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL2114479 0.89 DGAT2 (0.47) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL10481261 0.83 RAB9A (0.46) NPC1RAB9AMAOBALDH1A1LMNA
SCHEMBL2610211 0.81 CTSS (0.49) MAOBALDH1A1LMNACTSSSMN1; SMN2
SCHEMBL2113907 0.81 CHRM1 (0.54) CHRM1CHRM2CHRM4NPC1RAB9A
Hydrochloric Acid SCHEMBL2114956 0.80 CTSS (0.49) MAOBALDH1A1LMNACTSSSMN1; SMN2
SCHEMBL2115308 0.79 CHRM1 (0.52) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL2610203 0.79 CHRM1 (0.52) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL2710859 0.78 CTSS (0.67) ALDH1A1CTSSSMN1; SMN2
SCHEMBL2112156 0.78 CTSS (0.67) ALDH1A1CTSSSMN1; SMN2

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-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
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 CHRM1 4241/4885CHRM2 4275/4885CHRM4 4744/4885

“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.