SCHEMBL2821889

SCHEMBL2821889

S=c1[nH]cc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
IDO1 P14902 1/20 0.39
PTP4A3 O75365 1/20 0.37
PTP4A2 Q12974 1/20 0.37
PTP4A1 Q93096 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2822579 0.79 CYP2A6 (0.48) ALDH1A1HPGDKDM4ECYP3A4CYP2E1
SCHEMBL498650 0.65 HSD17B1 (0.65) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL2242666 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL2241368 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL7587610 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9AKDM4EMEN1
SCHEMBL2240182 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL7591649 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL7587868 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9APPARGNCOA2
SCHEMBL14190035 0.63 HSD17B1 (0.62) ALDH1A1HPGDRAB9AKDM4EMEN1
SCHEMBL10592967 0.62 ALDH1A1 (0.41) ALDH1A1HPGDRAB9APPARGNCOA2

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-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-1891057-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-02-27 EP disclosed
WO-2006133946-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-21 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-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 ALDH1A1 903/4885HPGD 734/4885RAB9A 1870/4885

“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.