SCHEMBL4921716

SCHEMBL4921716

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ACKR3 P25106 2/20 0.53
PPARG P37231 2/20 0.50
EPHX2 P34913 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTR2A P28223 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
C5AR1 P21730 1/20 0.45
OPRM1 P35372 1/20 0.45
MCHR1 Q99705 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL4924956 0.97 TSHR (0.59) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4927323 0.93 TSHR (0.55) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4922824 0.92 TSHR (0.55) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4921760 0.92 TSHR (0.55) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4927750 0.91 ACKR3 (0.58) TSHRACKR3SMN1; SMN2ALDH1A1MEN1
SCHEMBL4926155 0.91 TSHR (0.53) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4920192 0.91 MEN1 (0.56) ACKR3PPARGEPHX2ALDH1A1MEN1
SCHEMBL4922742 0.90 TSHR (0.52) TSHRACKR3PPARGEPHX2SMN1; SMN2
SCHEMBL4913671 0.90 HRH3 (0.54) PPARGEPHX2HTR2AMEN1KMT2A
SCHEMBL4916485 0.90 HRH3 (0.54) PPARGEPHX2HTR2AMEN1KMT2A

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 727/4885ACKR3 5/4885PPARG 468/4885

“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.