SCHEMBL4924858

SCHEMBL4924858

CC(C)(C(=O)NCc1ccc(C(=O)NCc2cccc(F)c2)cc1)C1CCN(Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.54
CHRM4 P08173 2/20 0.51
CXCR3 P49682 2/20 0.51
PRKAA2 P54646 6/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 1/20 0.48
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CCR2 P41597 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 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
SCHEMBL4917352 0.85 SMN1; SMN2 (0.49) CHRM3CHRM4CXCR3MEN1KMT2A
SCHEMBL4924772 0.83 ACKR3 (0.53) CHRM3CHRM4CXCR3MEN1KMT2A
SCHEMBL4924848 0.79 CHRM3 (0.51) CHRM3CHRM4CXCR3PRKAA2MEN1
SCHEMBL4923485 0.79 ALDH1A1 (0.59) MEN1KMT2A
SCHEMBL4922789 0.78 TSHR (0.60) CHRM4MEN1KMT2AEPHX2
SCHEMBL4917794 0.75 LMNA (0.52) MEN1KMT2A
SCHEMBL4917811 0.74 PPARG (0.57) MEN1KMT2A
SCHEMBL5577491 0.74 CHRM3 (0.56) CHRM3CHRM4CXCR3PRKAA2MEN1
SCHEMBL4920802 0.74 SMN1; SMN2 (0.51) MEN1KMT2A
SCHEMBL13205358 0.73 CXCR3 (0.86) CXCR3

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 37/4885CHRM4 101/4885CXCR3 13/4885

“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.