SCHEMBL4762706

SCHEMBL4762706

CC(C)COC(=O)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.36
TSHR P16473 4/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 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
SCHEMBL5539761 0.90 TSHR (0.49) ALOX15RAB9ATSHRSLC6A1SLC6A11
SCHEMBL4762703 0.89 TSHR (0.42) ALOX15RAB9ATSHRGABRA5GABRB2
SCHEMBL12994147 0.80 MAPT (0.49) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL2235927 0.80 MAPT (0.49) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL8224141 0.80 MAPT (0.49) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL1196568 0.79 ADRB2 (0.45) RAB9ATSHRPMP22LMNAADRB2
SCHEMBL6141274 0.79 ADRB2 (0.45) RAB9ATSHRPMP22LMNAADRB2
Hydrochloric Acid SCHEMBL3902332 0.79 MAPT (0.51) SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL30448400 0.79 MAPT (0.51) SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL29447270 0.79 MAPT (0.51) SLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-8258118-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-04 US disclosed
US-20120114643-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-8124768-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 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-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD ALOX15 1409/4885RAB9A 1324/4885TSHR 3984/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALOX15 3381/4885RAB9A 2346/4885TSHR 2355/4885
US-20120114643-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD ALOX15 1409/4885RAB9A 1324/4885TSHR 3984/4885

“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.