SCHEMBL5895485

SCHEMBL5895485

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.37
KMT2A Q03164 12/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 10/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
P4HB P07237 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5896058 0.91 OPRD1 (0.42)
SCHEMBL5895314 0.82 MEN1 (0.35) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5895665 0.77 PKM (0.34) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5895396 0.77 CYP4F2 (0.33)
SCHEMBL5897155 0.74 OPRD1 (0.41) MEN1KMT2AMAPTNPSR1
SCHEMBL5896048 0.70 NPC1 (0.34) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL5896923 0.70
SCHEMBL29381025 0.70 PKM (0.39)
SCHEMBL26136544 0.69 ALDH1A1 (0.35) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5895410 0.68

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.