SCHEMBL24513611

SCHEMBL24513611

CC(C)C[C@H](NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.64
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
GFER P55789 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
PREP P48147 2/20 0.56
ALDH1A1 P00352 2/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.55
HSD17B10 Q99714 1/20 0.54
PRCP P42785 1/20 0.54
KDM1A O60341 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53

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
SCHEMBL11450738 1.00 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11167627 1.00 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL7106091 1.00 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11167632 1.00 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11449038 0.94 CTRB1 (0.58) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11449036 0.94 CTRB1 (0.58) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11781980 0.93 CTRB1 (0.63) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL8055344 0.92 CTRB1 (0.62) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL7960529 0.92 CTRB1 (0.55) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL5319845 0.92 CTRB1 (0.55) CTRB1NPSR1KMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185855-A1 NOVEL NON-OPIOID ANTI-PAIN MEDICATION BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-06-16 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-20220185855-A1 NOVEL NON-OPIOID ANTI-PAIN MEDICATION FGF1, OGFR, OPRL1 CTRB1 3642/4885NPSR1 26/4885KMT2A 4193/4885

“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.