SCHEMBL4822019

SCHEMBL4822019

CC(C)C[C@@H](CNn1cccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
KCNH2 Q12809 1/20 0.38
GHSR Q92847 1/20 0.38
CNR2 P34972 1/20 0.38
PHGDH O43175 1/20 0.38
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 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
SCHEMBL8252425 0.88 CNR2 (0.43) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4818236 0.88 CHRNA7 (0.42) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4818135 0.88 CHRNA7 (0.42) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4862403 0.86 CTSL (0.43) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4818266 0.85 CHRNA7 (0.39) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4823886 0.85 CTSL (0.43) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4825000 0.85 F10 (0.42) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4824814 0.85 F10 (0.43) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4818762 0.84 CHRNA7 (0.39) CHRNA7CTSLCTSSKCNH2GHSR
SCHEMBL4894630 0.84 CTSL (0.42) CHRNA7CTSLCTSSKCNH2GHSR

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.