SCHEMBL4596330

SCHEMBL4596330

CCOC(=O)N1C[C@@H](c2ccccc2)N(C2CCNCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
BRD4 O60885 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL4596334 1.00 MAPT (0.44) MAPTPKMCASP3SMN1; SMN2BRD4
SCHEMBL5575040 0.88 MEN1 (0.47) CASP3BRD4NSD3CCR5MEN1
SCHEMBL4597932 0.88 MEN1 (0.47) CASP3BRD4NSD3CCR5MEN1
SCHEMBL5575622 0.84 NSD3 (0.40) NSD3ALDH1A1CCR5MEN1KMT2A
SCHEMBL4596166 0.84 NSD3 (0.40) NSD3ALDH1A1CCR5MEN1KMT2A
SCHEMBL27747216 0.84 SLC18A3 (0.39) SMN1; SMN2NSD3MAOBCCR5MEN1
SCHEMBL4598041 0.84 SLC18A3 (0.39) SMN1; SMN2NSD3MAOBCCR5MEN1
SCHEMBL4609951 0.83 GPR119 (0.46) MAPTPKMBRD4ALDH1A1L3MBTL1
SCHEMBL4609959 0.83 GPR119 (0.46) MAPTPKMBRD4ALDH1A1L3MBTL1
SCHEMBL4597940 0.82 CCR5 (0.38) CASP3NSD3CCR5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPT 3432/4885PKM 3901/4885CASP3 2441/4885

“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.