SCHEMBL6800327

SCHEMBL6800327

CC(CCI)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AGXT P21549 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL10473349 0.86 TSHR (0.44) ALDH1A1TSHRHPGDALOX15ALOX12
SCHEMBL7850044 0.84 TSHR (0.43) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL14118736 0.84 BCHE (0.46) ALDH1A1TSHRHPGDMEN1CYP1A2
SCHEMBL10245222 0.84 TSHR (0.43) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL23647056 0.82 IDO1 (0.43) ALDH1A1TSHRIDO1SLC1A3SLC1A2
SCHEMBL4722884 0.82 TSHR (0.41) ALDH1A1TSHRHPGDIDO1SLC1A3
SCHEMBL11763618 0.82 TSHR (0.41) ALDH1A1TSHRIDO1SLC1A3SLC1A2
SCHEMBL22092032 0.82 SLC1A3 (0.42) ALDH1A1TSHRHPGDIDO1SLC1A3
SCHEMBL7794286 0.82 TSHR (0.41) ALDH1A1TSHRHPGDIDO1SLC1A3
SCHEMBL4519983 0.82 SLC1A3 (0.42) ALDH1A1TSHRHPGDIDO1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176370-A1 3,4-Dihdro-N-[[1-(3-hydroxybutyl)-4-piperidinyl]methyl]-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide as 5-HT(4) receptor antagonist SMITHKLINE BEECHAM P.L.C. 2004-09-09 US disclosed
WO-2000017207-A1 3,4-DIHYDRO -N-[[1-(3 -HYDROXYBUTYL) -4-PIPERIDINYL] METHYL] -2H-[1,3] OXAZINO[3, 2-A]INDOLE -10-CARBOXAMIDE AS 5-HT(4) RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2000-03-30 WO 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-20040176370-A1 3,4-Dihdro-N-[[1-(3-hydroxybutyl)-4-piperidinyl]methyl]-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide as 5-HT(4) receptor antagonist HTR4, HTR3A, HTR1D ALDH1A1 870/4885TSHR 426/4885HPGD 912/4885

“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.