SCHEMBL25544113

SCHEMBL25544113

CC(C)C(=O)C1(n2ccc(-c3ccccc3)c2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 3/20 0.34
FASN P49327 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
USP19 O94966 1/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL21747416 0.86 ITGB1 (0.35) ALDH1A1FASNKDM4EITGB1ITGA4
SCHEMBL21747292 0.85 MME (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1FASN
SCHEMBL21747384 0.84 AKR1C1 (0.40) ALDH1A1FASNKDM4ESMN1; SMN2ITGB1
SCHEMBL21747268 0.83 FASN (0.34) PTGS2ALDH1A1FASNKDM4EITGB1
SCHEMBL21765788 0.83 ACHE (0.37) ALDH1A1KDM4ECYP1A2CYP2C9MAPK1
SCHEMBL21747335 0.82 AKR1C1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1FASN
SCHEMBL21765779 0.82 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1ITGB1
SCHEMBL21747206 0.81 FASN (0.38) ALDH1A1FASNKDM4ESMN1; SMN2HPGD
SCHEMBL21765552 0.81 ACHE (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL21747401 0.74 KDM4E (0.35) SLC6A2SLC6A4KDM4EITGB1ITGA4

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-20230257379-A1 INDOLIZINE DERIVATIVES AND THEIR APPLICATION IN MEDICINE KIND PHARMACEUTICAL (CN) 2023-08-17 US disclosed
US-20230242527-A1 INDOLIZINE DERIVATIVES AND THEIR APPLICATION IN MEDICINE KIND PHARMACEUTICAL (CN) 2023-08-03 US disclosed
US-11655249-B2 Indolizine derivatives and their application in medicine KIND PHARMACEUTICAL (CN) 2023-05-23 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-20230257379-A1 INDOLIZINE DERIVATIVES AND THEIR APPLICATION IN MEDICINE INMT, IDO1, IDO2 SLC6A2 48/4885SLC6A4 28/4885SLC6A3 132/4885
US-20230242527-A1 INDOLIZINE DERIVATIVES AND THEIR APPLICATION IN MEDICINE INMT, IDO1, IDO2 SLC6A2 48/4885SLC6A4 28/4885SLC6A3 132/4885
US-11655249-B2 Indolizine derivatives and their application in medicine INMT, IDO1, IDO2 SLC6A2 48/4885SLC6A4 28/4885SLC6A3 132/4885

“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.