SCHEMBL2610193

SCHEMBL2610193

CN[C@H]1c2cc(I)ccc2C[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM1 P11229 3/20 0.31
PNMT P11086 5/20 0.30
OPRM1 P35372 1/20 0.30
BACE1 P56817 4/20 0.30

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
SCHEMBL2610194 0.80 JAK2 (0.35) JAK2JAK1TYK2JAK3CHRM2
SCHEMBL2114300 0.80 CHRM1 (0.35) CHRM2CHRM4CHRM1BACE1
SCHEMBL4652861 0.76 EPHX2 (0.38) CHRM2CHRM4CHRM1BACE1
SCHEMBL4652641 0.76 EPHX2 (0.38) CHRM2CHRM4CHRM1BACE1
SCHEMBL2113457 0.76 EPHX2 (0.38) CHRM2CHRM4CHRM1BACE1
SCHEMBL8351029 0.75 MEN1 (0.46)
SCHEMBL1239662 0.75 MEN1 (0.46)
SCHEMBL8279734 0.75 MEN1 (0.46)
SCHEMBL8838933 0.75 MEN1 (0.46)
SCHEMBL8924211 0.75 MEN1 (0.46)

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 JAK2 1637/4885JAK1 1307/4885TYK2 1681/4885

“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.