SCHEMBL2610209

SCHEMBL2610209

O=C(N[C@H]1c2cc(N3CCNCC3)ccc2CC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.52
MAOB P27338 1/20 0.43
CHRM1 P11229 8/20 0.41
CHRM2 P08172 7/20 0.41
CHRM4 P08173 6/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
KDR P35968 1/20 0.39
HDAC3 O15379 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MELK Q14680 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
Hydrochloric Acid SCHEMBL2115298 0.99 CTSS (0.51) CTSSMAOBCHRM1CHRM2CHRM4
SCHEMBL2610210 0.94 CTSS (0.49) CTSSMAOBCHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL2113656 0.93 CTSS (0.48) CTSSMAOBCHRM1CHRM2CHRM4
SCHEMBL2726320 0.90 CHRM1 (0.50) CTSSMAOBCHRM1CHRM2CHRM4
SCHEMBL2610208 0.89 CTSS (0.57) CTSSCHRM1CHRM2CHRM4HDAC3
SCHEMBL2113359 0.87 CTSS (0.53) CTSSCHRM1CHRM2CHRM4TP53
SCHEMBL2711383 0.84 CTSS (0.42) CTSSCHRM1CHRM2CHRM4MELK
SCHEMBL2114397 0.84 CTSS (0.73) CTSSCHRM1CHRM2CHRM4HTR1A
SCHEMBL2610211 0.83 CTSS (0.49) CTSSMAOBBMPR1BBMPR1ATGFBR1
Hydrochloric Acid SCHEMBL2114956 0.82 CTSS (0.49) CTSSMAOBBMPR1BBMPR1ATGFBR1

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 CTSS 1/4885MAOB 776/4885CHRM1 4241/4885

“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.