SCHEMBL5897155

SCHEMBL5897155

CC(C)(C)OC(=O)N1CCC(CCO[Si](C)(C)C(C)(C)C)(C(=O)CC(O)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
TSHR P16473 2/20 0.39
STS P08842 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
SCD5 Q86SK9 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
TACR1 P25103 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
YAP1 P46937 1/20 0.37

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
SCHEMBL5895314 0.91 MEN1 (0.35) MEN1MAPTKMT2A
SCHEMBL5896058 0.84 OPRD1 (0.42) OPRD1OPRK1TSHRSTSGPR119
SCHEMBL5895758 0.76 USP2 (0.41) OPRD1OPRK1GPR119SMN1; SMN2
SCHEMBL29381025 0.76 PKM (0.39) GPR119SMN1; SMN2
SCHEMBL5895249 0.74 PKM (0.47) GPR119SMN1; SMN2
SCHEMBL5895485 0.74 MEN1 (0.37) MEN1MAPTKMT2ANPSR1
SCHEMBL5896234 0.72 HTT (0.40) TSHRSCD5GPR119ALOX15ATM
SCHEMBL5896006 0.72 TACR1 (0.42) OPRD1OPRK1TSHRSTSSCD5
SCHEMBL15076445 0.71 USP2 (0.43) OPRD1OPRK1SCD5GPR119SMN1; SMN2
SCHEMBL29857826 0.71 CYP4F2 (0.37) SCD5SMN1; SMN2

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 OPRD1 129/4885OPRK1 163/4885TSHR 1067/4885

“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.