SCHEMBL13839006

SCHEMBL13839006

CC[C@@H]1CCCN1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A9 P48067 3/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PIK3CD O00329 1/20 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
SCHEMBL25663994 1.00 TSHR (0.40) TSHRL3MBTL1CHRM3SLC6A9MAPK1
SCHEMBL25769664 1.00 TSHR (0.40) TSHRL3MBTL1CHRM3SLC6A9MAPK1
SCHEMBL17207528 0.94 TSHR (0.45) TSHRSLC6A9MAPK1TDP1ALDH1A1
SCHEMBL26313200 0.84 L3MBTL1 (0.40) TSHRL3MBTL1CHRM3HTTALDH1A1
SCHEMBL12718165 0.84 L3MBTL1 (0.40) TSHRL3MBTL1CHRM3HTTALDH1A1
SCHEMBL24503573 0.84 L3MBTL1 (0.36) TSHRL3MBTL1SLC6A9MAPK1HTT
SCHEMBL12718168 0.84 L3MBTL1 (0.40) TSHRL3MBTL1CHRM3HTTALDH1A1
SCHEMBL9892991 0.84 HTT (0.37) TSHRL3MBTL1SLC6A9MAPK1HTT
SCHEMBL10808055 0.83 CHRM3 (0.38) L3MBTL1CHRM3HTTKDM4EPIK3CD
SCHEMBL21870608 0.83 CHRM3 (0.38) L3MBTL1CHRM3HTTKDM4EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD (GB) 2009-05-28 US disclosed
US-20080281106-A1 Process for the Production of Asymmetric Transformation Catalysts PHOENIX CHEMICALS LIMITED (GB) 2008-11-13 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 (4 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 TSHR 2425/4885L3MBTL1 2141/4885CHRM3 4038/4885
US-20080281106-A1 Process for the Production of Asymmetric Transformation Catalysts OXSR1, OXGR1, OSR1 TSHR 101/4885L3MBTL1 1297/4885CHRM3 538/4885
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES POLL, ZNF207, ZC3HAV1L TSHR 1003/4885L3MBTL1 377/4885CHRM3 639/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL TSHR 3784/4885L3MBTL1 669/4885CHRM3 4539/4885

“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.