SCHEMBL4823987

SCHEMBL4823987

CC(C)CC(CNc1ccn[nH]1)NC(=O)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2C9 P11712 8/20 0.39
TSHR P16473 7/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL4823977 0.90 ALOX5AP (0.35) SMN1; SMN2
SCHEMBL4826964 0.80 CCR1 (0.41) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4826884 0.80 TSHR (0.46) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4824861 0.80 TSHR (0.46) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4821419 0.80 LMNA (0.44) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4818780 0.79 CYP2C9 (0.41) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4824915 0.79 SMN1; SMN2 (0.45) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4818248 0.78 CYP2C9 (0.39) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4827332 0.77 TSHR (0.43) CTSCKCNH2CYP2C9TSHRALDH1A1
SCHEMBL4825162 0.77 CTSL (0.38) KCNH2CYP2C9TSHRCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSC 14/4885KCNH2 2060/4885CYP2C9 1781/4885

“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.