SCHEMBL3274669

SCHEMBL3274669

Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C=C2CN(CCC3(c4ccccc4)CN(C(=O)OC(C)(C)C)C3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.56
TACR1 P25103 1/20 0.36

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
SCHEMBL3271118 0.86 CCR5 (0.52) CCR5
SCHEMBL3274665 0.85 CCR5 (0.76) CCR5
SCHEMBL4475843 0.83 CCR5 (0.39) CCR5
SCHEMBL3277247 0.78 CCR5 (0.54) CCR5TACR1
SCHEMBL3270740 0.75 CCR5 (0.73) CCR5
SCHEMBL3270999 0.75 CCR5 (0.70) CCR5
SCHEMBL3271572 0.75 CCR5 (0.54) CCR5
SCHEMBL3275995 0.75 CCR5 (0.56) CCR5
SCHEMBL3273632 0.74 CCR5 (0.75) CCR5
SCHEMBL3271353 0.74 CCR5 (0.74) CCR5

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
EP-2066674-B1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 CCR5 1/4885TACR1 55/4885

“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.