SCHEMBL5871728

SCHEMBL5871728

CCC(Br)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL2125627 0.82 ALDH1A1 (0.40) AOC3IDO1TDO2SLC6A2SLC6A3
SCHEMBL8498265 0.81 TDP1 (0.39) AOC3IDO1TDO2TDP1LMNA
SCHEMBL6683571 0.79 HTR7 (0.39) AOC3SLC6A2SLC6A3LMNACHRM1
SCHEMBL11542157 0.78 AKR1C3 (0.40) LMNACYP1A2CYP3A4MAPTCYP2C9
SCHEMBL953630 0.78 CHRNA7 (0.41) IDO1SLC6A2SLC6A3TDP1LMNA
SCHEMBL15486101 0.78 HTR2A (0.40) SLC6A2SLC6A3TDP1LMNAESR1
SCHEMBL7857764 0.76 ESR1 (0.67) SLC6A2SLC6A3TDP1LMNAESR1
SCHEMBL27983758 0.76 TRPA1 (0.41) AOC3IDO1TDO2HTT
SCHEMBL6643581 0.76 TRPA1 (0.41) AOC3IDO1TDO2HTT
SCHEMBL7112239 0.76 ADRB2 (0.44) AOC3IDO1TDO2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088772-B Steviol derivative and preparation method and application thereof 广东工业大学 2024-01-16 CN disclosed
CN-117088772-A Steviol derivative and preparation method and application thereof 广东工业大学 2023-11-21 CN disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0589975-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1994-04-06 EP disclosed
WO-1992022537-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES Orion-Yhtymä Oy (FI) 1992-12-23 WO disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP 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 (2 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-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 AOC3 3083/4885IDO1 347/4885TDO2 592/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AOC3 3989/4885IDO1 4595/4885TDO2 4762/4885

“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.