SCHEMBL4728480

SCHEMBL4728480

COc1ccccc1C1CCC(=O)N(C(C)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.55
PDE9A O76083 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
TSHR P16473 2/20 0.42
DRD2 P14416 2/20 0.41
GRM2 Q14416 1/20 0.41
ADRA1B P35368 1/20 0.41
PDE10A Q9Y233 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL4933617 0.74 LMNA (0.46) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4816866 0.71 DRD4 (1.00) DRD4DRD2GRM2MEN1KMT2A
SCHEMBL1278486 0.69 TSHR (0.44) DRD4TSHRMEN1KMT2AGLA
SCHEMBL3224911 0.68 PDE4B (0.52) KMT2ALMNACYP3A4MAPTMAPK1
SCHEMBL1278502 0.67 TSHR (0.44) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4728476 0.66 GRM2 (0.73) DRD4DRD2GRM2MEN1KMT2A
SCHEMBL29487580 0.66 HTR2C (0.62) TNKSTNKS2DRD2MEN1KMT2A
SCHEMBL5290305 0.66 HTR2C (0.62) TNKSTNKS2DRD2MEN1KMT2A
SCHEMBL15832871 0.65 DRD2 (0.60) DRD2MEN1KMT2AMAPTHTR2C
SCHEMBL2131228 0.64 TSHR (0.43) TSHRMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 DRD4 1204/4885PDE9A 163/4885TNKS 1786/4885

“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.