SCHEMBL4596387

SCHEMBL4596387

CC(=O)CCc1ccnc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNQ2 O43526 1/20 0.41
UHRF1 Q96T88 1/20 0.41
NR3C2 P08235 3/20 0.40
PORCN Q9H237 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37

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
SCHEMBL22526071 0.87 FFAR1 (0.42) FFAR1MAPTKCNQ2GSK3AGSK3B
SCHEMBL2961287 0.86 FFAR1 (0.64) FFAR1
SCHEMBL3398155 0.84 FFAR1 (0.48) FFAR1ALDH1A1LMNAKCNQ2UHRF1
SCHEMBL7278617 0.81 GABRP (0.44) FFAR1KCNQ2UHRF1SMARCA2SMARCA4
SCHEMBL17441153 0.81 ALDH1A1 (0.47) FFAR1ALDH1A1KDM4ENPC1LMNA
SCHEMBL4355540 0.80 UHRF1 (0.54) FFAR1KCNQ2UHRF1NR3C2GSK3A
SCHEMBL16318640 0.80 CYP4F2 (0.55) FFAR1LMNAMAPT
SCHEMBL13200356 0.78 FFAR1 (0.43) FFAR1KCNQ2UHRF1NR3C2WNT3A
SCHEMBL2023682 0.77 UHRF1 (0.46) FFAR1ALDH1A1KDM4EMAPTKCNQ2
SCHEMBL30324476 0.77 UHRF1 (0.46) FFAR1ALDH1A1KDM4EMAPTKCNQ2

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 3 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
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO 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 FFAR1 666/4885ALDH1A1 650/4885KDM4E 1178/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C FFAR1 450/4885ALDH1A1 645/4885KDM4E 3904/4885

“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.