SCHEMBL13359883

SCHEMBL13359883

Cc1ccnc(C)c1C(=O)N1CC2CN(Cc3ccccc3)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.58
CCL5 P13501 7/20 0.48
GRIN2B Q13224 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL3277909 0.87 CCR5 (0.59) CCR5CCL5
SCHEMBL3283305 0.85 CCR5 (0.58) CCR5GRIN2BHCRTR1HCRTR2
SCHEMBL3290783 0.83 CCR5 (0.67) CCR5CCL5
SCHEMBL14626227 0.81 CCR5 (0.68) CCR5CCL5
SCHEMBL13326686 0.81 CCR5 (0.68) CCR5CCL5
SCHEMBL14626671 0.81 CCR5 (0.60) CCR5CCL5
SCHEMBL13326784 0.81 CCR5 (0.60) CCR5CCL5
SCHEMBL4694005 0.80 CCR5 (0.59) CCR5CCL5
SCHEMBL3282633 0.79 CCR5 (0.55) CCR5CCL5HCRTR1HCRTR2
SCHEMBL3282627 0.79 CCR5 (0.56) CCR5CCL5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 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-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885CCL5 7/4885GRIN2B 1626/4885

“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.