SCHEMBL2610207

SCHEMBL2610207

CN1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.53
CHRM2 P08172 12/20 0.53
CHRM4 P08173 10/20 0.53
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSS P25774 3/20 0.51
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2113051 0.89 CHRM1 (0.49) CHRM1CHRM2CHRM4SMN1; SMN2CTSS
SCHEMBL2610208 0.89 CTSS (0.57) CHRM1CHRM2CHRM4NPC1LMNA
SCHEMBL2726320 0.88 CHRM1 (0.50) CHRM1CHRM2CHRM4CTSS
SCHEMBL2112400 0.86 PDK2 (0.48) CHRM1CHRM2CHRM4LMNASMN1; SMN2
SCHEMBL2113182 0.86 CTSS (0.65) CHRM1CHRM2CHRM4CTSS
SCHEMBL2610205 0.86 CHRM1 (0.49) CHRM1CHRM2CHRM4CTSSHDAC3
SCHEMBL2113124 0.79 CHRM1 (0.56) CHRM1CHRM2CHRM4NPC1RAB9A
SCHEMBL2113359 0.79 CTSS (0.53) CHRM1CHRM2CHRM4LMNATP53
SCHEMBL2114310 0.78 CTSS (0.53) LMNASMN1; SMN2CTSS
SCHEMBL2610209 0.78 CTSS (0.52) CHRM1CHRM2CHRM4NPC1TP53

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-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 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.