SCHEMBL4826952

SCHEMBL4826952

CC(C)C[C@@H](CNc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.44
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CCR3 P51677 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSD P07339 1/20 0.36
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL4818770 0.90 GRM4 (0.38) GRM4RAB9AGAASMN1; SMN2NPC1
SCHEMBL4826964 0.89 CCR1 (0.41) RAB9APOLBHTTCCR3ALDH1A1
SCHEMBL4826878 0.89 TAAR1 (0.43) GRM4ALDH1A1GAACTSKCTSL
SCHEMBL4824852 0.89 TAAR1 (0.43) GRM4ALDH1A1GAACTSKCTSL
SCHEMBL4827328 0.87 CTSS (0.44) SMN1; SMN2CTSKCTSLCTSS
SCHEMBL4819415 0.82 NPSR1 (0.43) GRM4RAB9AHTTALDH1A1GAA
SCHEMBL4824909 0.81 SMN1; SMN2 (0.45) RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4823977 0.80 ALOX5AP (0.35) GRM4SMN1; SMN2TAAR1
SCHEMBL4827325 0.80 ANPEP (0.39) HTTTAAR1
SCHEMBL4818780 0.79 CYP2C9 (0.41) ALDH1A1HSD17B10SMN1; SMN2

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 GRM4 4622/4885RAB9A 407/4885POLB 4404/4885

“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.