SCHEMBL17110223

SCHEMBL17110223

CC(=O)C[C@]1(C)CC[C@H](n2ncc(C(=O)O)c2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 2/20 0.34
SPR P35270 2/20 0.33
HSD11B1 P28845 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MGLL Q99685 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 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
SCHEMBL17110225 1.00 TRPV4 (0.35) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL17110187 0.83 TRPV4 (0.38) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL17110224 0.82 PLAT (0.39) ALDH1A1TDP1DRD2DRD4DRD3
SCHEMBL21816121 0.81 NOTUM (0.49) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL17110195 0.80 TRPV4 (0.36) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL17110393 0.78 PRMT1 (0.38) TRPV4KDM4EALDH1A1NOTUMHSD11B1
SCHEMBL574429 0.78 TRPV4 (0.43) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL6052465 0.77 TRPV4 (0.45) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL16654350 0.76 NOTUM (0.38) TRPV4KDM4EALDH1A1TDP1NOTUM
SCHEMBL17110176 0.76 NOTUM (0.42) TRPV4KDM4EALDH1A1TDP1NOTUM

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 TRPV4 1692/4885KDM4E 986/4885ALDH1A1 923/4885

“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.