SCHEMBL4889276

SCHEMBL4889276

COc1ccc2[nH]cc(CCC(C)=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.70
MTNR1B P49286 7/20 0.70
CYP2D6 P10635 3/20 0.70
CYP1A2 P05177 3/20 0.70
HTR1A P08908 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 2/20 0.70
BLM P54132 2/20 0.70
PMP22 Q01453 2/20 0.70
HTR2B P41595 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
CYP3A4 P08684 1/20 0.70
HPGD P15428 1/20 0.70
NQO2 P16083 1/20 0.70
RAB9A P51151 1/20 0.70
CYP1B1 Q16678 1/20 0.70
NOTUM Q6P988 1/20 0.70

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
SCHEMBL3024961 0.89 KDM4E (0.75) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL3018752 0.88 MTNR1A (0.70) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL2633259 0.86 KDM4E (0.79) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL10670286 0.84 MTNR1A (0.71) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL4619391 0.84 CYP2D6 (0.64) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL16495066 0.84 MTNR1A (0.70) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
5-Methoxytryptamine SCHEMBL30812526 0.84 HTR1A (0.84) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL6952853 0.84 KDM4E (0.71) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
5-Methoxytryptamine SCHEMBL27094903 0.84 HTR1A (0.84) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A
SCHEMBL10679484 0.83 HTR1A (0.64) MTNR1AMTNR1BCYP2D6CYP1A2HTR1A

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-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 MTNR1A 1284/4885MTNR1B 702/4885CYP2D6 1263/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C MTNR1A 1596/4885MTNR1B 603/4885CYP2D6 1231/4885

“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.