SCHEMBL4557404

SCHEMBL4557404

CCCCCN(C(=O)c1ccccc1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.50
MTNR1A P48039 1/20 0.50
HSD11B1 P28845 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ICMT O60725 1/20 0.45
ALB P02768 1/20 0.45

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
SCHEMBL27811000 0.99 AGER (0.52) AGERMTNR1AHSD11B1L3MBTL1MEN1
SCHEMBL9001746 0.94 HSD11B1 (0.54) AGERMTNR1AHSD11B1L3MBTL1MEN1
SCHEMBL13911269 0.88 AGER (0.56) AGERMTNR1AHSD11B1L3MBTL1MEN1
SCHEMBL13911241 0.88 SLC6A4 (0.56) AGERMTNR1AHSD11B1L3MBTL1MEN1
SCHEMBL10721820 0.87 HSD11B1 (0.57) AGERMTNR1AHSD11B1SLC6A4KCNH2
SCHEMBL10722289 0.84 HSD11B1 (0.56) AGERMTNR1AHSD11B1L3MBTL1MEN1
SCHEMBL15285371 0.84 AGER (0.52) AGERMTNR1AL3MBTL1MEN1KMT2A
SCHEMBL9543490 0.84 MEN1 (0.51) AGERMTNR1AHSD11B1MEN1KMT2A
SCHEMBL13434159 0.83 SLC6A4 (0.58) AGERMTNR1AHSD11B1MEN1KMT2A
SCHEMBL4139952 0.82 L3MBTL1 (0.62) AGERMTNR1AHSD11B1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514431-B2 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-04-07 US disclosed
US-20060173013-A1 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-08-03 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-20060173013-A1 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCRL2 AGER 1997/4885MTNR1A 317/4885HSD11B1 3526/4885

“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.