SCHEMBL1706346

SCHEMBL1706346

CC[CH]c1cc(C)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CYP2A6 P11509 3/20 0.53
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
NR1I2 O75469 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
SCHEMBL1706394 0.80 CYP1A2 (0.57) CYP1A2CYP2A6TDP1PTGS1PTGS2
SCHEMBL21045089 0.78 CYP1A2 (0.55) CYP1A2CYP2A6TDP1PTGS1PTGS2
SCHEMBL3271938 0.78 CYP2A6 (0.61) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL133603 0.75 CHAT (0.46) CYP2A6PTGS1PTGS2ALDH1A1KDM4E
Propane SCHEMBL28444183 0.74 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
Methylamine SCHEMBL27560497 0.72 GRIN2D (0.44) CYP2A6PTGS1PTGS2ALDH1A1HSD17B10
SCHEMBL6366270 0.72 CYP1A2 (0.57) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL1613222 0.71 NR1I2 (0.47) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL304871 0.71 ALDH1A1 (0.44) CYP1A2CYP2A6PTGS1PTGS2ALDH1A1
Ammonia Solution, Strong SCHEMBL28805674 0.71 CYP1A2 (0.55) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 WO 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 (1 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-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL CYP1A2 3053/4885CYP2A6 3719/4885TDP1 1433/4885

“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.