SCHEMBL4819456

SCHEMBL4819456

CC(C)CC(CNCCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
F2 P00734 3/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP3 P08254 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 3/20 0.40
CTSK P43235 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL4822150 0.94 EPHX2 (0.46) TAAR1F2ALDH1A1EPHX2PRSS1
SCHEMBL4827358 0.93 F2 (0.44) TAAR1F2ALDH1A1EPHX2PRSS1
SCHEMBL4826986 0.90 F2 (0.42) TAAR1DPP4DPP7F2
SCHEMBL4819462 0.89 TSHR (0.48) TAAR1DPP4DPP7ALDH1A1SMN1; SMN2
SCHEMBL4826878 0.84 TAAR1 (0.43) TAAR1ALDH1A1KDM4ECTSK
SCHEMBL4824852 0.84 TAAR1 (0.43) TAAR1ALDH1A1KDM4ECTSK
SCHEMBL4822156 0.83 TSHR (0.49) TAAR1F2SMN1; SMN2EPHX2
SCHEMBL4827366 0.82 TSHR (0.48) F2ALDH1A1SMN1; SMN2EPHX2
SCHEMBL4826990 0.80 TSHR (0.49) ALDH1A1SMN1; SMN2
SCHEMBL4827325 0.79 ANPEP (0.39) TAAR1

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 TAAR1 2307/4885DPP4 701/4885DPP7 598/4885

“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.