SCHEMBL4923562

SCHEMBL4923562

COc1ccc(CNC(=O)c2ccc(CNC(=O)C(C)(C)C3CCN(Cc4ccc(OC)c(O)c4)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
CCR3 P51677 1/20 0.49
CHRM3 P20309 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACKR3 P25106 2/20 0.48
MCHR1 Q99705 3/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 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
SCHEMBL4922456 0.93 ALDH1A1 (0.50) MEN1KMT2ANR1H4MCHR1SMN1; SMN2
SCHEMBL4915799 0.92 L3MBTL1 (0.50) TSHRCCR3CHRM3MEN1KMT2A
SCHEMBL4918023 0.86 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4918016 0.86 CCR3 (0.66) TSHRCCR3MCHR1DRD4SMN1; SMN2
SCHEMBL4922789 0.86 TSHR (0.60) TSHRCCR3MEN1NPC1EPHX2
SCHEMBL4917794 0.83 LMNA (0.52) TSHRMEN1KMT2AL3MBTL1ACKR3
SCHEMBL4923485 0.83 ALDH1A1 (0.59) TSHRMEN1KMT2AACKR3SMN1; SMN2
SCHEMBL4920802 0.83 SMN1; SMN2 (0.51) TSHRMEN1KMT2ANR1H4SMN1; SMN2
SCHEMBL4922766 0.81 TSHR (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL14198792 0.81 HTR2A (0.53) TSHRPDE4APDE4BPDE4CPDE4D

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 TSHR 727/4885PDE4A 323/4885PDE4B 441/4885

“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.