SCHEMBL4921760

SCHEMBL4921760

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PPARG P37231 2/20 0.49
CACNA1G O43497 1/20 0.49
CCR3 P51677 1/20 0.49
HTR2A P28223 6/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49
GPR183 P32249 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
APLNR P35414 1/20 0.49

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
SCHEMBL4924956 0.96 TSHR (0.59) TSHRPPARGHTR2AHRH3OPRM1
SCHEMBL4921420 0.94 HRH3 (0.50) PPARGHTR2AHRH3ABCB11CYP1A2
SCHEMBL4920750 0.94 TSHR (0.53) TSHRCACNA1GCCR3HTR2AHRH3
SCHEMBL4927323 0.92 TSHR (0.55) TSHRPPARGHTR2AHRH3OPRM1
SCHEMBL4921716 0.92 TSHR (0.55) TSHRPPARGHTR2AHRH3OPRM1
SCHEMBL4922782 0.92 TSHR (0.55) TSHRCACNA1GCCR3HTR2AHRH3
SCHEMBL4922824 0.92 TSHR (0.55) TSHRPPARGHTR2AHRH3OPRM1
SCHEMBL4922445 0.91 ACKR3 (0.49) TSHRCACNA1GCCR3ACKR3
SCHEMBL4913671 0.91 HRH3 (0.54) PPARGHTR2AHRH3ABCB11CYP1A2
SCHEMBL4923837 0.91 MCHR1 (0.52) PPARGHTR2AHRH3ABCB11CYP1A2

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 727/4885PPARG 468/4885CACNA1G 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.