SCHEMBL4597461

SCHEMBL4597461

CCOC(=O)C/N=C1\OC[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
GSK3A P49840 1/20 0.42
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP3 P42574 1/20 0.35
AVPR1A P37288 1/20 0.35
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL4597462 1.00 GSK3B (0.42) GSK3BGSK3AMAPTPKMSMN1; SMN2
SCHEMBL4597466 1.00 GSK3B (0.42) GSK3BGSK3AMAPTPKMSMN1; SMN2
SCHEMBL4598169 0.84 BRD4 (0.42) MAPTPKMSMN1; SMN2BRD4ALDH1A1
SCHEMBL4598167 0.84 BRD4 (0.42) MAPTPKMSMN1; SMN2BRD4ALDH1A1
SCHEMBL4596729 0.76 SLC18A3 (0.36) MAPTSMN1; SMN2BRD4
SCHEMBL4596732 0.76 SLC18A3 (0.36) MAPTSMN1; SMN2BRD4
SCHEMBL4598206 0.76 SLC18A3 (0.38) SMN1; SMN2BRD4
SCHEMBL4598200 0.76 SLC18A3 (0.38) SMN1; SMN2BRD4
SCHEMBL4598197 0.76 SLC18A3 (0.38) SMN1; SMN2BRD4
SCHEMBL5576661 0.73 CCR5 (0.62)

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
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
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 GSK3B 765/4885GSK3A 861/4885MAPT 3432/4885

“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.