SCHEMBL4915835

SCHEMBL4915835

COc1ccc(CNC(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.74
MCHR1 Q99705 8/20 0.65
SLC6A12 P48065 1/20 0.65
TMEM97 Q5BJF2 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
DRD4 P21917 2/20 0.64
TSHR P16473 1/20 0.64
PRKAA2 P54646 2/20 0.61
PRKAB2 O43741 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PRKAG3 Q9UGI9 1/20 0.61
PRKAG2 Q9UGJ0 1/20 0.61
PRKAB1 Q9Y478 1/20 0.61
CYP2D6 P10635 1/20 0.61
CHRM1 P11229 1/20 0.61
HTR2A P28223 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.58

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
SCHEMBL4915838 0.92 TSHR (0.64) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL4918016 0.85 CCR3 (0.66) CCR3MCHR1DRD4TSHRHRH3
SCHEMBL4916472 0.85 TSHR (0.60) CCR3TSHRKMT2AMEN1
SCHEMBL4916477 0.85 TSHR (0.60) CCR3MCHR1TSHRPRKAA2PRKAB2
SCHEMBL4922789 0.85 TSHR (0.60) CCR3MCHR1TSHRHRH3KMT2A
SCHEMBL9872559 0.83 DRD4 (0.78) CCR3MCHR1SIGMAR1DRD4KMT2A
SCHEMBL5577635 0.82 TSHR (0.71) MCHR1DRD4TSHRHRH3KMT2A
SCHEMBL5577499 0.82 CHRM3 (0.58) CCR3MCHR1DRD4TSHRKMT2A
SCHEMBL4916465 0.82 TSHR (0.56) CCR3TSHRPRKAA2PRKAB2PRKAG1
SCHEMBL4916458 0.82 TSHR (0.56) CCR3TMEM97TSHRCHRM1HTR2A

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 CCR3 2/4885MCHR1 358/4885SLC6A12 4344/4885

“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.