SCHEMBL4920802

SCHEMBL4920802

COc1ccc(CNC(=O)c2ccc(CNC(=O)C(C)(C)C3CCN(Cc4ccc(Br)cc4)CC3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL4917794 0.92 LMNA (0.52) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4923485 0.91 ALDH1A1 (0.59) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4922456 0.90 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4917352 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4917811 0.84 PPARG (0.57) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4915799 0.84 L3MBTL1 (0.50) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL4922323 0.83 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4923562 0.83 TSHR (0.54) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4924899 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4922316 0.82 SMN1; SMN2 (0.53) 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 2533/4885ALDH1A1 1255/4885

“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.