SCHEMBL4926155

SCHEMBL4926155

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
PPARG P37231 1/20 0.48
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CCR5 P51681 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ACKR3 P25106 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.44
ADRB2 P07550 1/20 0.43
HTR2A P28223 1/20 0.43
OPRM1 P35372 1/20 0.43

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 0.94 TSHR (0.59) TSHRPPARGKMT2AEPHX2ALDH1A1
SCHEMBL4921716 0.91 TSHR (0.55) TSHRPPARGKMT2AEPHX2ALDH1A1
SCHEMBL4927323 0.91 TSHR (0.55) TSHRPPARGKMT2AEPHX2ALDH1A1
SCHEMBL4921760 0.90 TSHR (0.55) TSHRPPARGEPHX2KDM4ECCR5
SCHEMBL4922824 0.90 TSHR (0.55) TSHRPPARGKMT2AEPHX2ALDH1A1
SCHEMBL4922742 0.88 TSHR (0.52) TSHRPPARGEPHX2CCR5SMN1; SMN2
SCHEMBL4922783 0.87 TSHR (0.51) TSHRPPARGEPHX2ALDH1A1CCR5
SCHEMBL4913049 0.87 TSHR (0.51) TSHRPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4924883 0.86 TSHR (0.49) TSHRPPARGEPHX2CCR5SMN1; SMN2
SCHEMBL4924700 0.86 CHRM3 (0.51) TSHRPPARGKMT2AEPHX2CCR5

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 468/4885KMT2A 3990/4885

“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.