SCHEMBL4922792

SCHEMBL4922792

COc1ccc(CNC(=O)c2ccc(CN(C(=O)C3CC3)C3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL4924218 0.90 CCR5 (0.49) CCR5SMN1; SMN2LMNAKCNH2ALDH1A1
SCHEMBL4920726 0.90 LMNA (0.50) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4922446 0.89 CCR5 (0.49) CCR5SMN1; SMN2LMNAKCNH2ALDH1A1
SCHEMBL4921856 0.89 CCR5 (0.49) CCR5SMN1; SMN2LMNAKCNH2ALDH1A1
SCHEMBL4924890 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4921979 0.89 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1KDM4EHTT
SCHEMBL4916484 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKCNH2ALDH1A1KDM4E
SCHEMBL4923881 0.87 LMNA (0.49) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4924914 0.87 LMNA (0.49) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4924246 0.87 KDM4E (0.52) SMN1; SMN2LMNAALDH1A1KDM4EPOLB

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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 CCR5 4/4885SMN1; SMN2 3688/4885LMNA 2533/4885

“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.