SCHEMBL1879612

SCHEMBL1879612

Cn1c(CCCCOS(C)(=O)=O)nnc1SCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
VCP P55072 1/20 0.31
KMT2A Q03164 2/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1876416 0.66 KDM4E (0.35) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1878342 0.66 HSD11B1 (0.45) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7220330 0.63 TSHR (0.62) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1877771 0.63 DRD3 (0.45) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1871523 0.62 HSD11B1 (0.35) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL11252152 0.61 TSHR (0.58) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2054710 0.61 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRKMT2AMEN1
Busulfan SCHEMBL4373 0.60 TSHR (1.00) ALDH1A1KDM4EUSP2LMNAMMP9
Busulfan SCHEMBL4764696 0.60 TSHR (1.00) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL31704435 0.58 TSHR (0.54) ALDH1A1KDM4EUSP2LMNAMMP9

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
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 ALDH1A1 2591/4885KDM4E 3100/4885USP2 3466/4885

“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.