SCHEMBL4245229

SCHEMBL4245229

C[C@H](CC(N)=O)N1CCC(NC(c2ccsc2)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OGA O60502 5/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
TP53 P04637 4/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4242522 0.83 C3AR1 (0.39)
SCHEMBL4244580 0.80 C3AR1 (0.46) HTTTP53
SCHEMBL4240607 0.76 LMNA (0.49) MEN1KMT2APOLBGAAHTT
SCHEMBL4244713 0.71 CCR5 (0.46)
SCHEMBL3762693 0.70 MCHR1 (0.40) MEN1KMT2A
SCHEMBL3758106 0.70 MCHR1 (0.40) MEN1KMT2A
SCHEMBL4245273 0.70 ATM (0.47) MEN1KMT2APOLBGAAHTT
SCHEMBL7133389 0.68 RAB9A (0.52) MEN1KMT2AHPGDPOLBGAA
SCHEMBL17761363 0.68 RAB9A (0.52) MEN1KMT2AHPGDPOLBGAA
SCHEMBL17761354 0.68 RAB9A (0.52) MEN1KMT2AHPGDPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US claimed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 MEN1 4855/4885KMT2A 4728/4885OGA 4160/4885

“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.