SCHEMBL4980253

SCHEMBL4980253

CC1(CC(=O)O)CCN(C(=O)OC(C)(C)C)CC1.CC1(CCO)CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
NR1H2 P55055 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
TACR1 P25103 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CCR5 P51681 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
SCHEMBL4975667 0.88 USP2 (0.47) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL2320202 0.88 USP2 (0.47) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL28587906 0.83 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL21644242 0.80 CYP4F2 (0.47) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL22323275 0.80 USP2 (0.41) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL21058505 0.79 CHRM2 (0.32) USP2CYP4F2CYP4A11
SCHEMBL22284343 0.79 CYP4F2 (0.52) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL6749647 0.78 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15HPGD
SCHEMBL18044505 0.78 KMT2A (0.35) USP2SMN1; SMN2TSHR
SCHEMBL1709866 0.76 USP2 (0.50) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 USP2 4378/4885SMN1; SMN2 4558/4885CYP4F2 1997/4885

“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.