SCHEMBL4878876

SCHEMBL4878876

CC(=O)CCc1cnn(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.39
ALDH1A1 P00352 7/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 7/20 0.35
MAPT P10636 6/20 0.35
HPGD P15428 4/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 4/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL4664142 0.84 CAPN1 (0.35) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL24159067 0.75 P2RX7 (0.47) IAPPALDH1A1LMNAHPGDKDM4E
SCHEMBL9965027 0.75 MAPK1 (0.35) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL8342654 0.74
SCHEMBL4359151 0.74 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL16136320 0.74 SETDB1 (0.44) SMN1; SMN2MAPTHPGDMEN1KMT2A
SCHEMBL4007505 0.73 HTT (0.39) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL5261460 0.72
Hydrochloric Acid SCHEMBL2009895 0.72 TAAR1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27671148 0.72 HSD11B1 (0.34) ALDH1A1KMT2APOLB

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 IAPP 3425/4885ALDH1A1 650/4885LMNA 999/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C IAPP 2319/4885ALDH1A1 645/4885LMNA 865/4885

“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.