SCHEMBL4952096

SCHEMBL4952096

COC(=O)C(C1CCN(c2cccc(O)c2)CC1)C1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CHRM4 P08173 1/20 0.39
NPY5R Q15761 1/20 0.39
KIF11 P52732 1/20 0.39
HDAC4 P56524 1/20 0.39
NOTUM Q6P988 1/20 0.39
OPRM1 P35372 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
SCHEMBL4949502 0.76 LGMN (0.62) DRD2MAPTALDH1A1MEN1KMT2A
SCHEMBL4948851 0.76 ALDH1A1 (0.52) DRD2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL22516912 0.73 DRD2 (0.49) DRD2MAPTALDH1A1DRD3MEN1
SCHEMBL11017006 0.73 DRD2 (0.56) DRD2DRD3MEN1KMT2ANOTUM
SCHEMBL13097313 0.72 MEN1 (0.53) DRD2DRD3MEN1KMT2AKIF11
SCHEMBL20825649 0.71 POLB (0.46) MAPTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL11211555 0.71 MAPT (0.69) DRD2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL20825648 0.71 POLB (0.46) MAPTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL29522774 0.71 MAPT (0.69) DRD2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL32665304 0.71 CKS1B (0.51) DRD2DRD3KMT2AOPRM1GPR119

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA DRD2 3504/4885MAPT 2495/4885LMNA 2469/4885

“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.