SCHEMBL17110205

SCHEMBL17110205

CC(=O)[C@]1(C)CC[C@@H](n2ncc(C(=O)O)c2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.34
POLB P06746 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
NR3C1 P04150 4/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
ALKBH1 Q13686 1/20 0.30
AURKA O14965 1/20 0.30
CDK1 P06493 1/20 0.30
AURKB Q96GD4 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL17110187 0.85 TRPV4 (0.38) KEAP1NFE2L2HSD11B1KDM4CKDM5A
SCHEMBL17048835 0.83 PRMT1 (0.36) POLBHSD11B1NR3C1KDM4ETDP1
SCHEMBL17048838 0.83 PRMT1 (0.36) POLBHSD11B1NR3C1KDM4ETDP1
SCHEMBL17110206 0.83 LMNA (0.40) KDM4EALDH1A1
SCHEMBL1406946 0.83 KEAP1 (0.40) LRRK2KEAP1NFE2L2HSD11B1NR3C1
SCHEMBL17110204 0.81 ALDH1A1 (0.37) KEAP1NFE2L2HSD11B1KDM4CKDM5A
SCHEMBL1407026 0.80 CNR2 (0.39) KEAP1NFE2L2HSD11B1CNR2KDM4C
SCHEMBL1407004 0.80 HCAR3 (0.38) KEAP1NFE2L2HSD11B1CNR2KDM4C
SCHEMBL17110193 0.80 HSD11B1 (0.40) LRRK2KEAP1NFE2L2HSD11B1NR3C1
SCHEMBL17110437 0.79 TRPV4 (0.38) TRPV4AURKACDK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA LRRK2 3254/4885POLB 4102/4885KEAP1 1306/4885

“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.