SCHEMBL4824909

SCHEMBL4824909

CC(C)CC(CNc1cccnc1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
FPR2 P25090 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
RAB9A P51151 2/20 0.36
SORT1 Q99523 1/20 0.36
NAMPT P43490 1/20 0.35
ADAM17 P78536 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL4824915 0.90 SMN1; SMN2 (0.45) SMN1; SMN2FPR2POLBALDH1A1AAK1
SCHEMBL4826878 0.87 TAAR1 (0.43) ALDH1A1
SCHEMBL4824852 0.87 TAAR1 (0.43) ALDH1A1
SCHEMBL4819415 0.83 NPSR1 (0.43) ALDH1A1RAB9A
SCHEMBL4818770 0.82 GRM4 (0.38) SMN1; SMN2RAB9A
SCHEMBL4826952 0.81 GRM4 (0.44) SMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL4821417 0.81 LMNA (0.44) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4827328 0.80 CTSS (0.44) SMN1; SMN2
SCHEMBL4823977 0.79 ALOX5AP (0.35) SMN1; SMN2
SCHEMBL4827325 0.78 ANPEP (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
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 SMN1; SMN2 3010/4885FPR2 3008/4885POLB 4404/4885

“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.