SCHEMBL4924848

SCHEMBL4924848

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.51
CXCR3 P49682 2/20 0.47
CHRM4 P08173 2/20 0.46
PRKAA2 P54646 3/20 0.46
NSD2 O96028 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
CLPP Q16740 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC2A1 P11166 1/20 0.43
CCR2 P41597 1/20 0.42

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
SCHEMBL4917345 0.86 SMN1; SMN2 (0.47) CHRM3CHRM4
SCHEMBL4921326 0.85 UBE2M (0.49) CHRM3CHRM4MEN1KMT2AUBE2M
SCHEMBL4924768 0.84 ACKR3 (0.50) CHRM3CXCR3MEN1KMT2AUBE2M
SCHEMBL4923919 0.83 CHRM3 (0.48) CHRM3CXCR3MEN1KMT2AUBE2M
SCHEMBL4923478 0.80 ALDH1A1 (0.55) KCNH2
SCHEMBL4924858 0.79 CHRM3 (0.54) CHRM3CXCR3CHRM4PRKAA2MEN1
SCHEMBL4924876 0.79 SMN1; SMN2 (0.46) CHRM3CHRM4
SCHEMBL4922782 0.79 TSHR (0.55) CHRM4KCNH2
SCHEMBL4921834 0.79 UBE2M (0.48) CHRM3CHRM4MEN1KMT2AUBE2M
SCHEMBL4922742 0.78 TSHR (0.52) CHRM3CXCR3CHRM4PRKAA2USP2

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 CHRM3 37/4885CXCR3 13/4885CHRM4 101/4885

“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.