SCHEMBL4913671

SCHEMBL4913671

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.54
KCNH2 Q12809 7/20 0.54
EPHX2 P34913 3/20 0.48
PPARG P37231 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 5/20 0.45
CHRM1 P11229 3/20 0.45
CYP2D6 P10635 2/20 0.45
MCHR1 Q99705 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GPR183 P32249 1/20 0.45
CYP2C19 P33261 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
SCHEMBL4916485 1.00 HRH3 (0.54) HRH3KCNH2EPHX2PPARGMEN1
SCHEMBL4921420 0.96 HRH3 (0.50) HRH3KCNH2EPHX2PPARGMEN1
SCHEMBL4923837 0.93 MCHR1 (0.52) HRH3KCNH2EPHX2PPARGMEN1
SCHEMBL4924870 0.93 MEN1 (0.56) PPARGMEN1KMT2AMCHR1CHRM2
SCHEMBL4915742 0.92 HRH3 (0.47) HRH3KCNH2EPHX2PPARGMEN1
SCHEMBL4920192 0.92 MEN1 (0.56) EPHX2PPARGMEN1KMT2ACHRM2
SCHEMBL4923919 0.91 CHRM3 (0.48) HRH3KCNH2MEN1KMT2AOPRM1
SCHEMBL4921760 0.91 TSHR (0.55) HRH3KCNH2EPHX2PPARGHTR2A
SCHEMBL4921716 0.90 TSHR (0.55) HRH3EPHX2PPARGMEN1KMT2A
SCHEMBL4921326 0.89 UBE2M (0.49) MEN1KMT2AMCHR1CHRM2OPRM1

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 HRH3 43/4885KCNH2 1548/4885EPHX2 1374/4885

“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.