SCHEMBL4922645

SCHEMBL4922645

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1)C1CCN(Cc2cccc(Br)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.50
ACKR3 P25106 3/20 0.49
TSHR P16473 1/20 0.49
PPARG P37231 1/20 0.46
CCR5 P51681 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR3 P49682 1/20 0.43
CCR3 P51677 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4923509 0.92 CHRM3 (0.51) CHRM3ACKR3TSHRPPARGCCR5
SCHEMBL4924700 0.92 CHRM3 (0.51) CHRM3ACKR3TSHRPPARGCCR5
SCHEMBL4922824 0.91 TSHR (0.55) CHRM3ACKR3TSHRPPARGCCR5
SCHEMBL4924956 0.90 TSHR (0.59) CHRM3ACKR3TSHRPPARGCCR5
SCHEMBL4916411 0.90 CHRM3 (0.42) CHRM3PPARGLMNAHPGDSMN1; SMN2
SCHEMBL4920240 0.89 ACKR3 (0.49) CHRM3ACKR3TSHRLMNAHPGD
SCHEMBL4927323 0.87 TSHR (0.55) ACKR3TSHRPPARGCCR5LMNA
SCHEMBL4921716 0.87 TSHR (0.55) ACKR3TSHRPPARGCCR5SMN1; SMN2
SCHEMBL4924883 0.87 TSHR (0.49) CHRM3ACKR3TSHRPPARGCCR5
SCHEMBL4921760 0.86 TSHR (0.55) ACKR3TSHRPPARGCCR5SMN1; SMN2

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 CHRM3 37/4885ACKR3 5/4885TSHR 727/4885

“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.