SCHEMBL6091673

SCHEMBL6091673

CC1(CC(CO)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
CYP3A4 P08684 12/20 0.50
CYP2C9 P11712 8/20 0.50
TSHR P16473 8/20 0.50
CYP2C19 P33261 7/20 0.50
CYP1A2 P05177 6/20 0.50
ALDH1A1 P00352 6/20 0.50
CYP2D6 P10635 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
CASP1 P29466 1/20 0.48
SYK P43405 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KYNU Q16719 1/20 0.46
CTSK P43235 2/20 0.45

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
SCHEMBL29600286 0.95 CTRB1 (0.51) CTRB1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL24324138 0.95 CTRB1 (0.51) CTRB1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26569247 0.95 CTRB1 (0.51) CTRB1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3611336 0.94 CTRB1 (0.50) CTRB1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26122643 0.88 CTRB1 (0.51) CTRB1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6091230 0.84 KYNU (0.59) CYP3A4CYP2C9TSHRCYP2C19CYP1A2
SCHEMBL6091228 0.84 KYNU (0.59) CYP3A4CYP2C9TSHRCYP2C19CYP1A2
SCHEMBL4829896 0.83 CTRB1 (0.68) CTRB1CYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL25288547 0.83 CTSK (0.52) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL25240531 0.83 CTSK (0.52) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287402-A1 Cathepsin inhibitors MERCK FROSST CANADA & CO. (CA) 2006-12-21 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-20060287402-A1 Cathepsin inhibitors CTSB, CTSK, CTSS CTRB1 16/4885CYP3A4 3292/4885CYP2C9 2420/4885

“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.