SCHEMBL4891782

SCHEMBL4891782

CC(=O)CCc1c(C)nn(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TTR P02766 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
GALR3 O60755 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7374141 0.85 KDM4E (0.47) KDM4ENPC1RAB9ATTRTP53
SCHEMBL11562262 0.81 KDM4E (0.44) KDM4ENPC1RAB9ATTRTP53
SCHEMBL3319314 0.80 L3MBTL1 (0.52) TTRTP53MAPTALDH1A1NPSR1
SCHEMBL1780791 0.76 SMN1; SMN2 (0.41) KDM4ENPC1RAB9ATTRTP53
SCHEMBL12844283 0.74 SMN1; SMN2 (0.42) KDM4ENPC1RAB9ATTRTP53
Hydrochloric Acid SCHEMBL9125465 0.74 NPSR1 (0.38) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL4353356 0.73 ALDH1A1 (0.46) KDM4ENPC1RAB9ATTRGAA
SCHEMBL12019280 0.73 RAB9A (0.56) KDM4ENPC1RAB9ATP53MAPT
SCHEMBL23932998 0.73 RAB9A (0.52) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL23978357 0.72 ALDH1A1 (0.41) KDM4ENPC1RAB9ATTRTP53

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 KDM4E 1178/4885NPC1 2948/4885RAB9A 4414/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C KDM4E 3904/4885NPC1 2092/4885RAB9A 3565/4885

“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.