SCHEMBL4924366

SCHEMBL4924366

COc1ccc(CNC(=O)c2ccc(CN(C(=O)CCC3CCCC3)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CHRM4 P08173 2/20 0.48
CACNA1G O43497 1/20 0.47
CCR3 P51677 1/20 0.47
HTR2A P28223 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SSTR3 P32745 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.45
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 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
SCHEMBL4923572 0.92 TSHR (0.53) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4926169 0.90 TSHR (0.55) TSHRCACNA1GCCR3HTR2ASMN1; SMN2
SCHEMBL4916458 0.89 TSHR (0.56) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4913986 0.88 TSHR (0.54) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4914030 0.86 HTR2A (0.54) TSHRCACNA1GCCR3HTR2AALDH1A1
SCHEMBL4924079 0.85 TSHR (0.55) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4916465 0.85 TSHR (0.56) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4922782 0.85 TSHR (0.55) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4921760 0.84 TSHR (0.55) TSHRCHRM4CACNA1GCCR3HTR2A
SCHEMBL4916472 0.83 TSHR (0.60) TSHRCHRM4CACNA1GCCR3POLB

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 TSHR 727/4885CHRM4 101/4885CACNA1G 1431/4885

“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.