SCHEMBL2115308

SCHEMBL2115308

O=C(NC1c2cc(Br)ccc2CCCC1O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.52
CHRM2 P08172 10/20 0.52
CHRM4 P08173 8/20 0.52
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CTSS P25774 1/20 0.44
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL2610203 1.00 CHRM1 (0.52) CHRM1CHRM2CHRM4KMT2ALMNA
SCHEMBL2113907 0.93 CHRM1 (0.54) CHRM1CHRM2CHRM4KMT2ALMNA
SCHEMBL2610210 0.80 CTSS (0.49) CHRM1CHRM2CHRM4KMT2AMEN1
Hydrochloric Acid SCHEMBL2113656 0.79 CTSS (0.48) CHRM1CHRM2CHRM4KMT2AMEN1
SCHEMBL2113085 0.79 CHRM1 (0.45) CHRM1CHRM2CHRM4LMNANPC1
SCHEMBL2610204 0.79 CHRM1 (0.45) CHRM1CHRM2CHRM4LMNANPC1
SCHEMBL2726067 0.77 CTSS (0.69) CHRM1CHRM2CHRM4KMT2AMEN1
SCHEMBL2113830 0.77 CTSS (0.69) CHRM1CHRM2CHRM4KMT2AMEN1
SCHEMBL2726066 0.77 CTSS (0.69) CHRM1CHRM2CHRM4KMT2AMEN1
SCHEMBL2114479 0.76 DGAT2 (0.47) CHRM1CHRM2CHRM4NPC1RAB9A

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.