SCHEMBL4922445

SCHEMBL4922445

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(OC)c2)cc1)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.49
CACNA1G O43497 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP13 P45452 1/20 0.48
CXCR3 P49682 1/20 0.47
CCR3 P51677 2/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
CHRM3 P20309 2/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.44
PKM P14618 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL4927750 0.93 ACKR3 (0.58) ACKR3MEN1KMT2AMMP13CXCR3
SCHEMBL4924768 0.93 ACKR3 (0.50) ACKR3CACNA1GMEN1KMT2AMMP13
SCHEMBL4920240 0.92 ACKR3 (0.49) ACKR3MMP13CXCR3CHRM3THRB
SCHEMBL4921326 0.91 UBE2M (0.49) CACNA1GMEN1KMT2AUBE2MDCUN1D1
SCHEMBL4921760 0.91 TSHR (0.55) ACKR3CACNA1GCCR3TSHR
SCHEMBL4921834 0.90 UBE2M (0.48) MEN1KMT2AUBE2MDCUN1D1CHRM3
SCHEMBL4921293 0.89 ALDH1A1 (0.55) ACKR3CACNA1GALDH1A1GAA
SCHEMBL4924450 0.89 ACKR3 (0.48) ACKR3MMP13CXCR3UBE2MDCUN1D1
SCHEMBL4924870 0.89 MEN1 (0.56) MEN1KMT2AUBE2MDCUN1D1CHRM3
SCHEMBL4921420 0.89 HRH3 (0.50) MEN1KMT2AUBE2MDCUN1D1

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 5/4885CACNA1G 1431/4885MEN1 2193/4885

“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.