SCHEMBL5895758

SCHEMBL5895758

CC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.36
ACACB O00763 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL5895249 0.88 PKM (0.47) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL5895396 0.86 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL29381025 0.85 PKM (0.39) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL15076445 0.85 USP2 (0.43) USP2SMN1; SMN2RECQLPKMHPGD
SCHEMBL21856259 0.84 USP2 (0.42) USP2SMN1; SMN2RECQLHPGDACACB
SCHEMBL23246690 0.83 PKM (0.43) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL5896107 0.82 USP2 (0.41) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL15076439 0.82 USP2 (0.41) USP2SMN1; SMN2RECQLPKMHPGD
SCHEMBL5896294 0.82 USP2 (0.41) USP2SMN1; SMN2RECQLHPGDACACB
SCHEMBL29857826 0.82 CYP4F2 (0.37) USP2SMN1; SMN2CYP4F2CYP4A11RECQL

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 USP2 4590/4885SMN1; SMN2 4725/4885CYP4F2 2372/4885

“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.