SCHEMBL3757307

SCHEMBL3757307

Cc1cccc(CN(C(=O)CC2CCCCC2)C2CCN(C(C)CC(N)=O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 16/20 0.47
DCUN1D1 Q96GG9 16/20 0.47
TACR1 P25103 1/20 0.40
CCR5 P51681 1/20 0.40
NPC1 O15118 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
SCHEMBL3757310 0.89 UBE2M (0.51) UBE2MDCUN1D1
SCHEMBL3762479 0.82 UBE2M (0.45) UBE2MDCUN1D1CCR5
SCHEMBL3760509 0.80 UBE2M (0.48) UBE2MDCUN1D1
SCHEMBL3762485 0.80 CCR5 (0.44) UBE2MDCUN1D1TACR1CCR5
SCHEMBL13052034 0.79 CCR5 (0.56) CCR5
SCHEMBL3762482 0.76 UBE2M (0.43) UBE2MDCUN1D1
SCHEMBL3755060 0.76 CCR5 (0.43) UBE2MDCUN1D1CCR5
SCHEMBL3767889 0.75 CCR5 (0.48) UBE2MDCUN1D1CCR5
SCHEMBL3766010 0.75 CCR5 (0.48) CCR5
SCHEMBL3760511 0.73 UBE2M (0.48) UBE2MDCUN1D1

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
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
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (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 UBE2M 4562/4885DCUN1D1 3581/4885TACR1 35/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 UBE2M 4562/4885DCUN1D1 3581/4885TACR1 35/4885

“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.