SCHEMBL5576012

SCHEMBL5576012

Cc1cccc([C@@H]2CNC(=O)N2C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
TP53 P04637 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
STS P08842 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5576017 1.00 GPR119 (0.53) GPR119TP53HDAC1HDAC6KDM4E
SCHEMBL4597324 0.88 GPR119 (0.51) GPR119TP53KDM4EMAPTTHRB
SCHEMBL4724963 0.88 GPR119 (0.51) GPR119TP53KDM4EMAPTTHRB
SCHEMBL4596940 0.85 HDAC1 (0.47) TP53HDAC1HDAC6KDM4EMAPT
SCHEMBL4597612 0.83 GPR119 (0.52) GPR119TP53HDAC1HDAC6KDM4E
SCHEMBL5576090 0.83 GPR119 (0.52) GPR119TP53HDAC1HDAC6KDM4E
SCHEMBL4597778 0.79 HTR2C (0.52) TP53HDAC1HDAC6KDM4EMAPT
SCHEMBL30563607 0.79 GPR119 (0.65) GPR119TP53KDM4EMAPTTHRB
SCHEMBL4552609 0.79 CCR5 (0.45) GPR119
SCHEMBL29880399 0.74 GPR119 (0.59) GPR119TP53KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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 GPR119 229/4885TP53 2854/4885HDAC1 958/4885

“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.