SCHEMBL3092013

SCHEMBL3092013

Cc1ccc(CCc2[c]cccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CHKA P35790 1/20 0.35
IDO1 P14902 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH1 P35367 1/20 0.34
DAO P14920 2/20 0.33
C3AR1 Q16581 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC5A2 P31639 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL7668652 0.87 TAAR1 (0.39) KCNH2CYP2A6TAAR1CHKAIDO1
SCHEMBL715204 0.87 KCNH2 (0.41) KCNH2CYP2A6TAAR1TDP1ALOX15
SCHEMBL7672662 0.78 CYP1A2 (0.41) KCNH2CYP1A2CYP2A6TAAR1CHKA
SCHEMBL258549 0.76 TSHR (0.32) TAAR1
SCHEMBL8478011 0.75 TDP1 (0.33) TDP1
SCHEMBL9978976 0.74 IDO1 (0.34) KCNH2CYP1A2CYP2A6TAAR1IDO1
SCHEMBL10626556 0.73 TSHR (0.36) CYP1A2CYP2A6
SCHEMBL819968 0.73 SKP2 (0.35) KCNH2
SCHEMBL7674770 0.73 TAAR1 (0.51) TAAR1IDO1HRH3DAO
SCHEMBL143961 0.72 CYP1A2 (0.68) KCNH2CYP1A2CYP2A6TAAR1CHKA

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
EP-2118101-B1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-26 EP disclosed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US disclosed
EP-2118101-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-11-18 EP disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
WO-2008110523-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-18 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-20080234313-A1 NOVEL INHIBITORS SF3A1, HBS1L, SF3A3 KCNH2 1506/4885CYP1A2 680/4885CYP2A6 979/4885

“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.