SCHEMBL10070543

SCHEMBL10070543

Clc1cccc(-c2n[nH]c(C3CCNCC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
HTR7 P34969 1/20 0.44
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
PLAT P00750 3/20 0.42
IDO1 P14902 1/20 0.42
ULK1 O75385 1/20 0.41
USP30 Q70CQ3 1/20 0.41
FYN P06241 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
Hydrochloric Acid SCHEMBL31583248 0.99 GABRA1 (0.44) GABRA1GABRG2GABRB3HTR7TLR9
SCHEMBL10070112 0.84 CPT1A (0.45) HTR7TLR9TLR8TLR7PLAT
SCHEMBL10070508 0.83 NR1H2 (0.45) GABRA1GABRG2GABRB3HTR7TLR9
SCHEMBL10070058 0.83 USP30 (0.56) GABRA1TLR9TLR8TLR7ULK1
SCHEMBL13513871 0.81 MEN1 (0.61) TLR9TLR8TLR7PLATIDO1
SCHEMBL31583234 0.78 DRD2 (0.55) TLR9TLR8TLR7USP30KMT2A
SCHEMBL27776222 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3HTR7PLAT
SCHEMBL91042 0.76 ULK1 (0.43) ULK1
SCHEMBL31583545 0.76 DRD4 (0.55) TLR9TLR8TLR7USP30
SCHEMBL31583600 0.76 DRD4 (0.53) USP30KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 GABRA1 609/4885GABRG2 891/4885GABRB3 693/4885

“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.