SCHEMBL5895314

SCHEMBL5895314

CC(C)(C)[Si](C)(C)OCCC1(C(=O)CC(O)Cc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 9/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL5897155 0.91 OPRD1 (0.41) MEN1KMT2AMAPT
SCHEMBL5895485 0.82 MEN1 (0.37) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5895396 0.75 CYP4F2 (0.33)
SCHEMBL5896058 0.74 OPRD1 (0.42)
SCHEMBL5895665 0.73 PKM (0.34) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5895410 0.71
SCHEMBL5896923 0.68
SCHEMBL5896048 0.68 NPC1 (0.34) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3428431 0.67 ADRB2 (0.40) TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL3428434 0.67 ADRB2 (0.40) TRPA1SLC6A2SLC6A4SLC6A3

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-7091211-B2 Cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity CCR5, CXCR1, ACKR3 MEN1 4586/4885KMT2A 4347/4885LMNA 4701/4885

“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.