SCHEMBL4822150

SCHEMBL4822150

CC(C)CC(CNCCCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
F2 P00734 4/20 0.45
TAAR1 Q96RJ0 3/20 0.44
PRSS1 P07477 1/20 0.43
MMP8 P22894 1/20 0.41
F7 P08709 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4827358 0.97 F2 (0.44) EPHX2F2TAAR1PRSS1F7
SCHEMBL4819456 0.94 TAAR1 (0.48) EPHX2F2TAAR1PRSS1ALDH1A1
SCHEMBL4822156 0.90 TSHR (0.49) EPHX2F2TAAR1CYP2C9CYP2C19
SCHEMBL4826986 0.89 F2 (0.42) F2TAAR1CYP2C9CYP2C19TSHR
SCHEMBL4827366 0.87 TSHR (0.48) EPHX2F2CYP2C9CYP2C19TSHR
SCHEMBL4819462 0.83 TSHR (0.48) TAAR1CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL4824852 0.82 TAAR1 (0.43) TAAR1CYP2C9CYP2C19TSHREPHX1
SCHEMBL4826878 0.82 TAAR1 (0.43) TAAR1CYP2C9CYP2C19TSHREPHX1
SCHEMBL4826990 0.78 TSHR (0.49) CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL4819679 0.78 TAAR1 (0.67) EPHX2TAAR1EPHX1ALDH1A1KMT2A

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 EPHX2 4212/4885F2 2012/4885TAAR1 2307/4885

“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.