SCHEMBL3326231

SCHEMBL3326231

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
NPSR1 Q6W5P4 1/20 0.69
POLB P06746 3/20 0.66
ADORA3 P0DMS8 1/20 0.59
CACNA1B Q00975 1/20 0.58
CACNA1F O60840 4/20 0.57
CACNA1D Q01668 4/20 0.57
CACNA1S Q13698 4/20 0.57
CACNA1C Q13936 4/20 0.57
HIF1A Q16665 3/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57

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
SCHEMBL29676320 1.00 TSHR (0.69) TSHRNPSR1POLBADORA3CACNA1B
SCHEMBL28735878 0.89 TSHR (0.59) TSHRNPSR1POLBADORA3CACNA1B
SCHEMBL3032551 0.86 CACNA1F (0.66) TSHRPOLBADORA3CACNA1BCACNA1F
SCHEMBL3024959 0.85 CACNA1B (0.62) TSHRNPSR1POLBADORA3CACNA1B
SCHEMBL7434340 0.85 ADORA3 (0.62) TSHRPOLBADORA3CACNA1BCACNA1F
SCHEMBL3034907 0.85 NR3C2 (0.61) TSHRNPSR1POLBADORA3CACNA1B
SCHEMBL11783074 0.84 GAA (0.64) TSHRPOLBADORA3CACNA1FCACNA1D
SCHEMBL10540800 0.84 ADORA3 (0.60) TSHRNPSR1POLBADORA3CACNA1F
SCHEMBL7345493 0.84 POLB (0.54) TSHRNPSR1POLBADORA3CACNA1B
SCHEMBL7345498 0.84 ADORA3 (0.64) TSHRNPSR1POLBADORA3CACNA1B

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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-4567268-A Process for preparation of certain tetrahydrofuro[3,4-b]pyridines MERCK & CO., INC. (US) 1986-01-28 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 (1 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 TSHR 4847/4885NPSR1 3203/4885POLB 606/4885

“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.