SCHEMBL4883079

SCHEMBL4883079

CC(=O)CCc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
MAOA P21397 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL30233681 0.87 MAOA (0.51) HDAC1HDAC8MAOACYP1A2CYP3A4
SCHEMBL6263512 0.85 HDAC1 (0.56) HDAC1HDAC8CTNNB1WNT3A
SCHEMBL6844115 0.84 HDAC1 (0.55) HDAC1HDAC8MAOACTNNB1WNT3A
SCHEMBL6303056 0.83 HDAC1 (0.51) HDAC1HDAC8MAOACTNNB1WNT3A
SCHEMBL15901671 0.83 HDAC1 (0.54) HDAC1HDAC8MAOACYP1A2CYP3A4
SCHEMBL14155863 0.82 HDAC1 (0.71) HDAC1HDAC8MAOACYP1A2CYP3A4
SCHEMBL8666600 0.80 HDAC1 (0.55) HDAC1HDAC8MAOACYP1A2CYP3A4
SCHEMBL14833860 0.80 HDAC1 (0.51) HDAC1HDAC8MAOACYP1A2CYP3A4
SCHEMBL28325361 0.79 HDAC1 (0.60) HDAC1HDAC8MAOACYP1A2SLC6A3
Benzylacetone SCHEMBL28244875 0.78 ALDH1A1 (0.64) HDAC8KDM4ESLC6A2SLC6A3CTNNB1

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
CN-104016972-A Preparation method of vilazodone as well as hydrochloride and intermediate thereof SHANGHAI HECHEN PHARMA ENGINEERING CO LTD 2014-09-03 CN claimed
CN-104016972-A Preparation method of vilazodone as well as hydrochloride and intermediate thereof SHANGHAI HECHEN PHARMA ENGINEERING CO LTD 2014-09-03 CN disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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 (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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C HDAC1 1929/4885HDAC8 1507/4885MAOA 1568/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HDAC1 1362/4885HDAC8 1565/4885MAOA 901/4885

“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.