SCHEMBL3763901

SCHEMBL3763901

CONC(=O)N(Cc1ccsc1)C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
CCR5 P51681 5/20 0.46
KCNH2 Q12809 4/20 0.46
ALDH1A1 P00352 1/20 0.44
UBE2M P61081 7/20 0.43
DCUN1D1 Q96GG9 7/20 0.43
HTR4 Q13639 2/20 0.43
DRD3 P35462 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL3749999 0.85 CCR5 (0.50) CCR5KCNH2UBE2MDCUN1D1OPRM1
SCHEMBL4416636 0.74 CCR5 (0.52) CCR5KCNH2
SCHEMBL3758700 0.74 CCR5 (0.78) CCR5KCNH2UBE2MDCUN1D1
SCHEMBL3757151 0.73 GPR119 (0.50) CCR5KCNH2
SCHEMBL13052054 0.73 CCR5 (0.78) CCR5KCNH2
SCHEMBL3749924 0.73 CCR5 (0.65) CCR5KCNH2UBE2MDCUN1D1
SCHEMBL3749922 0.73 CCR5 (0.60) CCR5KCNH2UBE2MDCUN1D1
SCHEMBL4552231 0.71 CCR5 (0.48) CCR5KCNH2
SCHEMBL2250329 0.68 MAOB (0.59) DRD2ALDH1A1DRD3
SCHEMBL5113354 0.66 HTR1A (0.61) DRD2ALDH1A1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 DRD2 1693/4885CCR5 1/4885KCNH2 4679/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 DRD2 1693/4885CCR5 1/4885KCNH2 4679/4885

“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.