SCHEMBL4924768

SCHEMBL4924768

COc1cccc(CNC(=O)c2ccc(CN(C(=O)C(C)C)C3CCN(Cc4ccc(F)cc4)CC3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP13 P45452 1/20 0.49
CACNA1G O43497 1/20 0.48
CXCR3 P49682 1/20 0.48
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
CHRM3 P20309 2/20 0.47
CCR3 P51677 2/20 0.47
NAMPT P43490 1/20 0.47
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 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
SCHEMBL4922445 0.93 ACKR3 (0.49) ACKR3MEN1KMT2AMMP13CACNA1G
SCHEMBL4922782 0.91 TSHR (0.55) ACKR3CACNA1GCCR3ALDH1A1TSHR
SCHEMBL4923478 0.89 ALDH1A1 (0.55) ACKR3CACNA1GMCHR1ALDH1A1GAA
SCHEMBL4927750 0.86 ACKR3 (0.58) ACKR3MEN1KMT2AMMP13CXCR3
SCHEMBL4920240 0.85 ACKR3 (0.49) ACKR3MMP13CXCR3CHRM3MCHR1
SCHEMBL4922466 0.85 TSHR (0.52) MEN1KMT2ACHRM3ALDH1A1GAA
SCHEMBL4920750 0.84 TSHR (0.53) ACKR3CACNA1GCCR3ALDH1A1TSHR
SCHEMBL4921326 0.84 UBE2M (0.49) MEN1KMT2ACACNA1GUBE2MDCUN1D1
SCHEMBL4921760 0.84 TSHR (0.55) ACKR3CACNA1GCCR3TSHR
SCHEMBL4924848 0.84 CHRM3 (0.51) MEN1KMT2ACXCR3UBE2MDCUN1D1

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 ACKR3 5/4885MEN1 2193/4885KMT2A 3990/4885

“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.