SCHEMBL4918016

SCHEMBL4918016

COc1ccc(CNC(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(OC)c(O)c4)CC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.66
MCHR1 Q99705 11/20 0.62
DRD4 P21917 2/20 0.60
TSHR P16473 1/20 0.57
HRH3 Q9Y5N1 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4918023 0.93 TSHR (0.57) CCR3MCHR1DRD4TSHRHRH3
SCHEMBL4923562 0.86 TSHR (0.54) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL4915835 0.85 CCR3 (0.74) CCR3MCHR1DRD4TSHRHRH3
SCHEMBL14198792 0.84 HTR2A (0.53) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL4914304 0.83 TSHR (0.51) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL4923547 0.82 TSHR (0.50) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL4921868 0.82 PDE4A (0.49) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL4924883 0.82 TSHR (0.49) CCR3MCHR1DRD4TSHRSMN1; SMN2
SCHEMBL5577836 0.81 TSHR (0.59) CCR3MCHR1TSHRSMN1; SMN2
SCHEMBL4922766 0.81 TSHR (0.49) CCR3MCHR1DRD4TSHRSMN1; SMN2

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 CCR3 2/4885MCHR1 358/4885DRD4 712/4885

“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.