SCHEMBL3271987

SCHEMBL3271987

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 1.00
CCL5 P13501 3/20 0.53

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
SCHEMBL3272733 0.93 CCR5 (0.88) CCR5
SCHEMBL3271055 0.93 CCR5 (0.86) CCR5CCL5
SCHEMBL3270468 0.92 CCR5 (0.84) CCR5CCL5
SCHEMBL3271771 0.88 CCR5 (1.00) CCR5CCL5
SCHEMBL3271657 0.86 CCR5 (1.00) CCR5CCL5
SCHEMBL3271569 0.85 CCR5 (0.76) CCR5
SCHEMBL3271876 0.84 CCR5 (0.74) CCR5CCL5
SCHEMBL3271436 0.84 CCR5 (0.93) CCR5CCL5
SCHEMBL3270992 0.84 CCR5 (1.00) CCR5
SCHEMBL3272480 0.84 CCR5 (0.77) 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 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 claimed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US claimed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US claimed

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 1/4885CCL5 11/4885

“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.