SCHEMBL4597776

SCHEMBL4597776

CC(C)(C)OC(=O)N1CCC(N2C(=O)N(c3ccc(F)cc3)CC2c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
MAPT P10636 3/20 0.44
STS P08842 2/20 0.44
TNF P01375 3/20 0.43
LITAF Q99732 3/20 0.43
USP30 Q70CQ3 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5575439 0.89 MEN1 (0.49) TP53MAPTUSP30MEN1KMT2A
SCHEMBL5575428 0.89 MEN1 (0.49) TP53MAPTUSP30MEN1KMT2A
SCHEMBL4596748 0.85 GPR119 (0.52) TP53MAPTSTSTNFLITAF
SCHEMBL5572456 0.84 STS (0.48) TP53MAPTSTSTNFLITAF
SCHEMBL5576089 0.82 CCR5 (0.54) TP53MAPTSTS
SCHEMBL5576084 0.82 CCR5 (0.54) TP53MAPTSTS
SCHEMBL4625809 0.81 STS (0.45) TP53MAPTSTSTNFLITAF
SCHEMBL4608051 0.81 CCR5 (0.46) TP53MAPTSTSTNFLITAF
SCHEMBL4611367 0.81 FADS1 (0.42) TP53MEN1KMT2ATHRBLMNA
SCHEMBL5572449 0.80 CCR5 (0.47) TP53MAPTSTSTNFLITAF

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 TP53 2854/4885MAPT 3432/4885STS 4841/4885

“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.