SCHEMBL4889557

SCHEMBL4889557

CC(=O)CCc1c[nH]c2ccc(C)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
HTR1D P28221 3/20 0.63
HTR2A P28223 2/20 0.63
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 2/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.53
RECQL P46063 1/20 0.53
GFER P55789 1/20 0.53
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.52
HTR1A P08908 2/20 0.52
HTR1B P28222 2/20 0.52
MPO P05164 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL10344769 0.91 MTNR1A (0.65) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL3052924 0.88 HPGD (0.69) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL31036156 0.88 HPGD (0.69) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL5717632 0.87 MPO (0.70) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL24814500 0.84 MTNR1A (0.63) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL3220638 0.84 MPO (0.74) MTNR1AMTNR1BHTR2AHTR1AMPO
SCHEMBL4878964 0.84 MTNR1A (0.69) MTNR1AMTNR1BHTR1DHTR2AHPGD
SCHEMBL15245742 0.83 SMN1; SMN2 (0.61) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL10344751 0.82 MTNR1A (0.61) MTNR1AMTNR1BHTR1DHTR2AMAPT
SCHEMBL28680989 0.82 MPO (0.71) MTNR1AMTNR1BHTR1DHTR2AMAPT

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 702/4885HTR1D 89/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C MTNR1A 1596/4885MTNR1B 603/4885HTR1D 266/4885

“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.