SCHEMBL3270165

SCHEMBL3270165

c1ccc(C(CCN2CC3CNCC3C2)C2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CCL5 P13501 13/20 0.42
CCR5 P51681 7/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SOS1 Q07889 1/20 0.40
BPTF Q12830 1/20 0.40
PKM P14618 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL3275813 0.89 CYP2D6 (0.44) CYP2D6CCL5CCR5SLC6A2SLC6A4
SCHEMBL3283544 0.76 CYP2D6 (0.45) CYP2D6CCR5BPTF
SCHEMBL3272204 0.74 CCL5 (0.78) CCL5CCR5
SCHEMBL13600051 0.73 CCL5 (0.49) CYP2D6CCL5CCR5PKMCTDSP1
SCHEMBL27536627 0.71 FFAR1 (0.47) SLC6A2SLC6A4SLC6A3SOS1PKM
SCHEMBL9381630 0.71 SOS1 (0.45) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL1697227 0.71 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL93039 0.71 OPRD1 (0.48) SLC6A2SLC6A4SLC6A3SOS1PKM
Hydrochloric Acid SCHEMBL8786951 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL5781131 0.70 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SOS1

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 5 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
EP-2066674-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008034731-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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 (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 CYP2D6 1329/4885CCL5 11/4885CCR5 1/4885

“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.