SCHEMBL4824852

SCHEMBL4824852

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
MAPT P10636 2/20 0.38
GRM4 Q14833 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTSS P25774 1/20 0.36
PSMB5 P28074 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
SCHEMBL4826878 1.00 TAAR1 (0.43) TAAR1KCNQ3KCNQ2CTSKCTSL
SCHEMBL4818770 0.90 GRM4 (0.38) TAAR1CTSKGRM4GAATSHR
SCHEMBL4826952 0.89 GRM4 (0.44) TAAR1CTSKCTSLGRM4GAA
SCHEMBL4824861 0.89 TSHR (0.46) TAAR1KCNQ3KCNQ2CYP2C9TSHR
SCHEMBL4826884 0.89 TSHR (0.46) TAAR1KCNQ3KCNQ2CYP2C9TSHR
SCHEMBL4819415 0.88 NPSR1 (0.43) CTSKMAPTGRM4GAACYP2C9
SCHEMBL4824909 0.87 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL4827328 0.87 CTSS (0.44) CTSKCTSLTSHRCTSS
SCHEMBL4827325 0.86 ANPEP (0.39) TAAR1KCNQ3KCNQ2MAPTCYP2C9
SCHEMBL4826986 0.84 F2 (0.42) TAAR1KCNQ3KCNQ2CYP2C9TSHR

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 2307/4885KCNQ3 2119/4885KCNQ2 2400/4885

“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.