SCHEMBL4818236

SCHEMBL4818236

CC(C)C[C@H](CNc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PHGDH O43175 1/20 0.40
F10 P00742 2/20 0.40
KCNH2 Q12809 1/20 0.39
GHSR Q92847 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.38
TRPA1 O75762 1/20 0.37
TACR1 P25103 1/20 0.37
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL4818135 1.00 CHRNA7 (0.42) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4825000 0.94 F10 (0.42) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4824814 0.94 F10 (0.43) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4818762 0.93 CHRNA7 (0.39) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4821249 0.92 KCNH2 (0.39) CHRNA7CTSLCTSSF10KCNH2
SCHEMBL4820661 0.92 GHSR (0.40) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4818266 0.90 CHRNA7 (0.39) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL8252425 0.89 CNR2 (0.43) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4862403 0.89 CTSL (0.43) CHRNA7CTSLCTSSPHGDHF10
SCHEMBL4823924 0.88 CHRNA7 (0.38) CHRNA7CTSLCTSSPHGDHKCNH2

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 disclosed
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
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 CHRNA7 3660/4885CTSL 12/4885CTSS 2/4885

“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.