SCHEMBL4923547

SCHEMBL4923547

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
CCR3 P51677 1/20 0.46
CHRM3 P20309 1/20 0.46
ACKR3 P25106 1/20 0.45
MCHR1 Q99705 4/20 0.45
CCR5 P51681 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL4924883 0.93 TSHR (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4915790 0.93 ACKR3 (0.46) TSHRCCR3ACKR3MCHR1DRD2
SCHEMBL4922442 0.93 ALDH1A1 (0.47) MCHR1SMN1; SMN2ALDH1A1
SCHEMBL14198792 0.91 HTR2A (0.53) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4922466 0.90 TSHR (0.52) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4914304 0.90 TSHR (0.51) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4921868 0.88 PDE4A (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4922766 0.88 TSHR (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4922782 0.87 TSHR (0.55) TSHRCCR3ACKR3DRD3SMN1; SMN2
SCHEMBL4923492 0.86 PPARG (0.46) 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.