SCHEMBL2610206

SCHEMBL2610206

CN1CCN(c2ccc3c(c2)[C@H](NC(=O)c2ccc(F)cc2)[C@@H](O)CC3)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CHRM1 P11229 9/20 0.40
CHRM2 P08172 8/20 0.40
CHRM4 P08173 7/20 0.40
CYP2D6 P10635 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTR1F P30939 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL2610205 0.91 CHRM1 (0.49) CTSSCHRM1CHRM2CHRM4CYP2D6
SCHEMBL2114521 0.88 CTSS (0.44) CTSSCHRM1CHRM2CHRM4NPC1
SCHEMBL2610208 0.86 CTSS (0.57) CTSSCHRM1CHRM2CHRM4CYP2D6
SCHEMBL2114772 0.85 CTSS (0.44) CTSSCHRM1CHRM2CHRM4
SCHEMBL2710775 0.79 CHRM1 (0.47) CTSSCHRM1CHRM2CHRM4LMNA
SCHEMBL2113188 0.79 CHRM1 (0.46) CTSSCHRM1CHRM2CHRM4LMNA
SCHEMBL2610209 0.78 CTSS (0.52) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2113907 0.78 CHRM1 (0.54) CTSSCHRM1CHRM2CHRM4NPC1
Hydrochloric Acid SCHEMBL2115298 0.77 CTSS (0.51) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2113359 0.77 CTSS (0.53) CTSSCHRM1CHRM2CHRM4HTR1A

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 CTSS 1/4885CHRM1 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.