SCHEMBL8208270

SCHEMBL8208270

N#C[C@@]1(c2ccc(Cl)c(Cl)c2)CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.45
CCR2 P41597 3/20 0.42
SLC6A4 P31645 9/20 0.41
FFAR1 O14842 2/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A2 P23975 7/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMO O15229 1/20 0.37

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
SCHEMBL14255658 1.00 SLC6A3 (0.45) SLC6A3CCR2SLC6A4FFAR1OPRM1
SCHEMBL8216816 1.00 SLC6A3 (0.45) SLC6A3CCR2SLC6A4FFAR1OPRM1
SCHEMBL8218564 0.83 SLC6A4 (0.46) SLC6A3CCR2SLC6A4OPRM1SLC6A2
SCHEMBL8215573 0.83 SLC6A4 (0.46) SLC6A3CCR2SLC6A4OPRM1SLC6A2
SCHEMBL4728513 0.83 SLC6A4 (0.46) SLC6A3CCR2SLC6A4OPRM1SLC6A2
SCHEMBL29302947 0.81 HSD11B1 (0.42) SLC6A3CCR2SLC6A4FFAR1SLC6A2
SCHEMBL29879558 0.81 HSD11B1 (0.42) SLC6A3CCR2SLC6A4FFAR1SLC6A2
Lithium Ion SCHEMBL29136989 0.79 HSD11B1 (0.40) SLC6A3CCR2SLC6A4FFAR1SLC6A2
SCHEMBL14520917 0.77 HSD11B1 (0.40) CCR2FFAR1OPRM1
SCHEMBL28266831 0.76 SLC6A3 (0.50) SLC6A3CCR2SLC6A4SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
WO-2008013856-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL -3-AZABICYCLO[3.1.0 ] HEXANES DOV PHARMACEUTICAL, INC. (US) 2008-01-31 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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 SLC6A3 982/4885CCR2 372/4885SLC6A4 2230/4885

“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.