SCHEMBL4819482

SCHEMBL4819482

COc1ccc(NCC(CN)NC(=O)[C@@H]2CCCC[C@@H]2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 2/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
GRM4 Q14833 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4827328 0.89 CTSS (0.44) SMN1; SMN2EPHX2MEN1KMT2ACTSK
SCHEMBL4819490 0.89 EPHX2 (0.40) SMN1; SMN2EPHX2GFERMEN1KMT2A
SCHEMBL4827335 0.79 CTSS (0.44) EPHX2MEN1KMT2ACTSKALDH1A1
SCHEMBL4820586 0.78 CTSK (0.50) SMN1; SMN2EPHX2CTSKMAPTCTSS
SCHEMBL4823780 0.78 CTSK (0.50) SMN1; SMN2EPHX2CTSKMAPTCTSS
SCHEMBL4818770 0.77 GRM4 (0.38) SMN1; SMN2NPC1RAB9AEPHX1CTSK
SCHEMBL4826952 0.76 GRM4 (0.44) SMN1; SMN2NPC1RAB9ACTSKALDH1A1
SCHEMBL4826878 0.76 TAAR1 (0.43) EPHX1CTSKALDH1A1CYP2C19MAPT
SCHEMBL4824852 0.76 TAAR1 (0.43) EPHX1CTSKALDH1A1CYP2C19MAPT
SCHEMBL4826839 0.75 AHR (0.40) NPC1RAB9ACTSKCTSS

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 SMN1; SMN2 3010/4885EPHX2 4212/4885GFER 4182/4885

“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.