SCHEMBL4948957

SCHEMBL4948957

CC(C)(C)C1CCc2cc(Cl)ccc2N1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
HSD17B3 P37058 2/20 0.42
SRD5A1 P18405 4/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4748903 0.84 MAPK1 (0.54) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL14575084 0.76 ATAD2 (0.44) HSD17B3PDK1PDK2PDK3PDK4
SCHEMBL14321151 0.69 PDK1 (0.39) HSD17B3SRD5A1PDK1PDK2PDK3
SCHEMBL22835563 0.69 LMNA (0.37)
SCHEMBL9891750 0.68 NOTUM (0.50) NOTUMSRD5A1KMT2A
SCHEMBL2928011 0.68 HTR2C (0.51) NOTUMHSD17B3SRD5A1DRD2DRD4
SCHEMBL3971068 0.67 NOTUM (0.73) NOTUMHSD17B3DRD2DRD4HTR2C
SCHEMBL14321528 0.67 SRD5A1 (0.36) SRD5A1ALDH1A1
SCHEMBL1650576 0.66 PDK1 (0.62) PDK1PDK2PDK3PDK4NPC1
SCHEMBL15103365 0.66 OXTR (0.41) SRD5A1DRD4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US 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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B NOTUM 3896/4885HSD17B3 2497/4885SRD5A1 2587/4885

“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.