SCHEMBL3883398

SCHEMBL3883398

N#CC1(c2ccccc2)CCC(N(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ OPRM1 P35372 3/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ CHRM4 P08173 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.42
▸ AGER Q15109 3/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ C5AR1 P21730 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL13687099 0.87 MEN1 (0.51) MEN1KMT2AOPRM1HSD11B1CHRM4
SCHEMBL8134575 0.83 MEN1 (0.47) MEN1KMT2AOPRM1HSD11B1CHRM4
SCHEMBL8133029 0.80 SLC6A2 (0.48) MEN1KMT2AOPRM1HSD11B1
SCHEMBL5476066 0.80 KMT2A (0.48) MEN1KMT2AC5AR1
SCHEMBL5476062 0.80 KMT2A (0.48) MEN1KMT2AC5AR1
SCHEMBL5476061 0.80 KMT2A (0.48) MEN1KMT2AC5AR1
SCHEMBL567000 0.79 LMNA (0.48) MEN1KMT2AOPRM1AGERMTNR1A
SCHEMBL567001 0.79 LMNA (0.48) MEN1KMT2AOPRM1AGERMTNR1A
SCHEMBL565751 0.79 LMNA (0.48) MEN1KMT2AOPRM1AGERMTNR1A
SCHEMBL566999 0.79 LMNA (0.48) MEN1KMT2AOPRM1AGERMTNR1A

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
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 — — US disclosed
EP-1569647-B1 CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-20 — — EP disclosed
US-20060122166-A1 Cyclohexyl compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-06-08 — — 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-20060122166-A1 Cyclohexyl compounds as ccr5 antagonists CCR5, CCR1, CCR3 MEN1 4748/4885KMT2A 4628/4885OPRM1 154/4885

“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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