SCHEMBL4922893

SCHEMBL4922893

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(C)c2)cc1)C1CCN(Cc2ccc(OC)c(O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.45
CHRM3 P20309 4/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4924450 0.93 ACKR3 (0.48) CHRM3THRBUBE2MDCUN1D1MCHR1
SCHEMBL4912989 0.92 ACKR3 (0.45) CHRM3LMNASMN1; SMN2UBE2MDCUN1D1
SCHEMBL4916411 0.92 CHRM3 (0.42) CHRM3LMNASMN1; SMN2MCHR1DRD2
SCHEMBL4924357 0.92 ALDH1A1 (0.47) LMNASMN1; SMN2MCHR1
SCHEMBL4914291 0.90 UBE2M (0.45) CCR5CHRM3LMNASMN1; SMN2UBE2M
SCHEMBL4924883 0.89 TSHR (0.49) CCR5CHRM3SMN1; SMN2MCHR1DRD2
SCHEMBL4923509 0.89 CHRM3 (0.51) CCR5CHRM3THRBSMN1; SMN2MCHR1
SCHEMBL4923464 0.89 POLB (0.48) LMNAUBE2MDCUN1D1MCHR1
SCHEMBL4923492 0.89 PPARG (0.46) LMNASMN1; SMN2MCHR1DRD2DRD3
SCHEMBL4924440 0.89 ALDH1A1 (0.49) DRD2DRD3

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 CCR5 4/4885CHRM3 37/4885THRB 1212/4885

“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.