SCHEMBL23256173

SCHEMBL23256173

CC(C)CC(C(=O)O)n1cc(CCN2CCCCC2)c(C(F)(F)F)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.35
TERT O14746 4/20 0.33
LNPEP Q9UIQ6 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1B P47901 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32
MCL1 Q07820 1/20 0.31
MAPT P10636 1/20 0.31
CCR2 P41597 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL23248918 0.97 OPRK1 (0.33) OPRK1KDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL24555664 0.92 LNPEP (0.32) OPRK1TERTLNPEPALDH1A1AVPR1B
SCHEMBL23250150 0.91 OPRK1 (0.32) OPRK1KDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL25819424 0.90 POLB (0.36) ALDH1A1AVPR1BMEN1KMT2ASMN1; SMN2
SCHEMBL23256342 0.89 TERT (0.31) OPRK1TERTKDM4EALDH1A1AVPR1B
SCHEMBL29863481 0.89 OPRK1 (0.32) OPRK1KDM4EALDH1A1
SCHEMBL23255920 0.89 KDM4E (0.33) OPRK1LNPEPKDM4EL3MBTL1ALDH1A1
SCHEMBL23255954 0.88 OPRK1 (0.31) OPRK1KDM4EALDH1A1
SCHEMBL31629365 0.87 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL23256514 0.87 EPHX2 (0.33) AVPR1BSMN1; SMN2HTR2A

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-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO 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-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) ITGB7, ITGB4, ITGA4 OPRK1 1286/4885TERT 3053/4885LNPEP 2898/4885

“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.