SCHEMBL15416119

SCHEMBL15416119

Brc1nccc(N2CCN(C3CCOCC3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.43
▸ CYP11B2 P19099 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ TLR9 Q9NR96 2/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39
▸ SORD Q00796 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL18751497 0.84 USP2 (0.45) HRH3CYP11B2HRH4MEN1USP2
SCHEMBL21914804 0.83 PIK3CA (0.50) MEN1USP2ALDH1A1CYP1A2ALOX15
SCHEMBL29790016 0.83 PIK3CA (0.50) MEN1USP2ALDH1A1CYP1A2ALOX15
SCHEMBL18768480 0.78 SORD (0.46) HRH3CYP11B2CYP1A2CYP2C19HSD11B1
SCHEMBL2074782 0.71 HRH3 (0.63) HRH3HRH4
SCHEMBL20456700 0.69 AKR1C3 (0.52) HRH3CYP11B2HSD11B1TLR8TLR7
SCHEMBL20491766 0.69 AKR1C3 (0.52) HRH3CYP11B2HSD11B1TLR8TLR7
SCHEMBL20456794 0.69 AKR1C3 (0.52) HRH3CYP11B2HSD11B1TLR8TLR7
SCHEMBL34471379 0.69 PDE10A (0.43) HRH3HRH4SORD
SCHEMBL1089686 0.68 CXCR4 (0.57) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 — — US disclosed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 — — US disclosed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 — — US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 — — US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 — — US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 — — US disclosed
EP-2877468-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2015-06-03 — — EP disclosed
WO-2014009794-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-01-16 — — 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-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 HRH3 1847/4885CYP11B2 1292/4885HRH4 2654/4885

“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.

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