SCHEMBL4595920

SCHEMBL4595920

COCCN1CC(c2cccc(Cl)c2)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.44
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TNF P01375 3/20 0.41
LITAF Q99732 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 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
SCHEMBL5572451 0.85 STS (0.43) STSTP53MAPTHDAC1HDAC6
SCHEMBL5573793 0.85 SMN1; SMN2 (0.44) STSTP53MAPTHDAC1HDAC6
SCHEMBL5572456 0.84 STS (0.48) STSTP53MAPTHDAC1HDAC6
SCHEMBL4597655 0.83 CCR5 (0.43) STSTP53MAPTHDAC1HDAC6
SCHEMBL4609485 0.82 SLC6A2 (0.40) TP53MAPTHDAC1HDAC6CCR5
SCHEMBL5576089 0.81 CCR5 (0.54) STSTP53MAPTCCR5
SCHEMBL5576084 0.81 CCR5 (0.54) STSTP53MAPTCCR5
SCHEMBL4608051 0.81 CCR5 (0.46) STSTP53MAPTHDAC1HDAC6
SCHEMBL4625809 0.81 STS (0.45) STSTP53MAPTHDAC1HDAC6
SCHEMBL4597776 0.80 TP53 (0.47) STSTP53MAPTTNFLITAF

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 STS 4841/4885TP53 2854/4885MAPT 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.