SCHEMBL21937367

SCHEMBL21937367

CC(C)C1(Cc2cccc(Cl)c2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.49
SLC6A4 P31645 6/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 3/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL21937723 0.84 PNMT (0.39) PNMTSLC6A4SLC6A2SLC6A3TSHR
SCHEMBL25146528 0.78 L3MBTL1 (0.51) L3MBTL1
SCHEMBL25146541 0.78 L3MBTL1 (0.51) L3MBTL1
SCHEMBL20900769 0.77 PNMT (0.49) PNMTTSHRRECQLTAAR1SIGMAR1
SCHEMBL10423175 0.75 SLC6A4 (0.46) PNMTSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL9667972 0.75 SLC6A4 (0.50) PNMTSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL31374947 0.75 SLC6A4 (0.46) PNMTSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL5218251 0.71 PNMT (0.50) PNMTSLC6A4SLC6A3TAAR1SIGMAR1
SCHEMBL25518220 0.71 PNMT (0.46) PNMTSLC6A4SLC6A3TAAR1SIGMAR1
SCHEMBL25209309 0.70 PNMT (0.48) PNMTSLC6A4SLC6A2SLC6A3TAAR1

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 PNMT 2717/4885SLC6A4 1226/4885SLC6A2 914/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL PNMT 2717/4885SLC6A4 1226/4885SLC6A2 914/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 PNMT 3116/4885SLC6A4 1541/4885SLC6A2 1019/4885

“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.