SCHEMBL4823977

SCHEMBL4823977

CC(C)CC(CNc1ccn[nH]1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.35
FEN1 P39748 11/20 0.35
ALOX5 P09917 10/20 0.35
GRM4 Q14833 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
GCK P35557 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4823987 0.90 CTSC (0.40) SMN1; SMN2
SCHEMBL4826952 0.80 GRM4 (0.44) GRM4TAAR1SMN1; SMN2
SCHEMBL4824852 0.80 TAAR1 (0.43) GRM4TAAR1
SCHEMBL4826878 0.80 TAAR1 (0.43) GRM4TAAR1
SCHEMBL4821417 0.80 LMNA (0.44) TAAR1MAPK1SMN1; SMN2
SCHEMBL4818770 0.79 GRM4 (0.38) GRM4TAAR1SMN1; SMN2
SCHEMBL4824909 0.79 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL4818242 0.78 ATM (0.34) GRM4TAAR1SMN1; SMN2
SCHEMBL4827325 0.77 ANPEP (0.39) TAAR1
SCHEMBL4819687 0.76 PEPD (0.36) GRM4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF ALOX5AP 4230/4885FEN1 3206/4885ALOX5 4552/4885

“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.