SCHEMBL4924933

SCHEMBL4924933

COc1ccc(CNC(=O)c2ccc(CNC(=O)CCC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
CHRM4 P08173 1/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
CHRM3 P20309 1/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL4914263 0.90 LMNA (0.56) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4924133 0.89 ALDH1A1 (0.61) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4917352 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4922323 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4924936 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4916491 0.84 MMP2 (0.53) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4922337 0.82 MMP2 (0.52) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4913649 0.82 MMP2 (0.52) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4914010 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNACHRM4ALDH1A1POLB
SCHEMBL4921438 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1POLBGAA

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 SMN1; SMN2 3688/4885LMNA 2533/4885CHRM4 101/4885

“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.