SCHEMBL4824915

SCHEMBL4824915

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 5/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
FPR2 P25090 1/20 0.38
CTSC P53634 4/20 0.37
KCNH2 Q12809 2/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL4824909 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBFPR2AAK1
SCHEMBL4826884 0.87 TSHR (0.46) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4824861 0.87 TSHR (0.46) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4819420 0.83 NPSR1 (0.43) TSHRCYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL4818780 0.82 CYP2C9 (0.41) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4826964 0.81 CCR1 (0.41) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4821419 0.81 LMNA (0.44) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4827335 0.80 CTSS (0.44) TSHRCYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL4823987 0.79 CTSC (0.40) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL4827332 0.78 TSHR (0.43) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1

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 3010/4885TSHR 2926/4885CYP2C9 1781/4885

“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.