SCHEMBL14021920

SCHEMBL14021920

CC(C)CCc1c[nH]c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
DYRK1A Q13627 7/20 0.45
GSK3B P49841 3/20 0.45
NFATC1 O95644 3/20 0.45
GPR84 Q9NQS5 3/20 0.43
CDK2 P24941 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
KRAS P01116 1/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKE Q14164 1/20 0.40
HTR2A P28223 1/20 0.39
HASPIN Q8TF76 1/20 0.38
IGF1R P08069 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
SCHEMBL14021918 0.88 HTR6 (0.65) HTR6GSK3BGPR84KRASHTR2A
SCHEMBL14214431 0.85 HTR6 (0.45) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL18858475 0.82 HTR6 (0.53) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL25987660 0.80 HTR6 (0.58) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL3899319 0.79 HTR6 (0.76) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL3924792 0.79 GSK3B (0.53) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL31036068 0.79 HTR6 (0.76) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL17338514 0.79 GPR84 (0.44) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL3221770 0.78 DYRK1A (0.51) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL25029930 0.78 HTR2A (0.62) HTR6DYRK1AGSK3BNFATC1GPR84

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 HTR6 243/4885DYRK1A 3040/4885GSK3B 2156/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HTR6 992/4885DYRK1A 3924/4885GSK3B 2045/4885

“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.