SCHEMBL21937397

SCHEMBL21937397

CC(=O)N1CCC(C)(C(=O)C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
CYP1A2 P05177 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 5/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 3/20 0.38
USP2 O75604 3/20 0.38
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL22549659 0.79 SCN1A (0.35) CYP1A2TDP1CYP2C19TSHR
SCHEMBL13804020 0.79 CYP1A2 (0.46) PIK3CDCYP1A2TDP1CYP2C9CYP3A4
SCHEMBL2605491 0.78
SCHEMBL7440979 0.77 FFAR3 (0.56) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL12158529 0.75 USP2 (0.47) ALDH1A1USP2EPHX2SMN1; SMN2MAPK1
SCHEMBL7897247 0.75 PIK3CD (0.44) PIK3CDCYP1A2TDP1CYP2C9CYP3A4
SCHEMBL24961728 0.75 CYP1A2 (0.43) PIK3CDCYP1A2TDP1CYP2C9CYP3A4
SCHEMBL2055552 0.75 CYP1A2 (0.43) PIK3CDCYP1A2TDP1CYP2C9CYP3A4
SCHEMBL21937431 0.74 PSEN1 (0.35) CYP2C9ALDH1A1EPHX2TSHR
SCHEMBL12044442 0.73 FFAR3 (0.38) ALDH1A1SMN1; SMN2CYP2C19TSHR

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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (3 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL PIK3CD 3100/4885CYP1A2 4219/4885TDP1 4669/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL PIK3CD 3100/4885CYP1A2 4219/4885TDP1 4669/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 PIK3CD 2735/4885CYP1A2 4262/4885TDP1 4502/4885

“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.