SCHEMBL4921158

SCHEMBL4921158

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(C)c2)cc1)C1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 1/20 0.45
CHRM3 P20309 3/20 0.43
CHRM2 P08172 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CXCR4 P61073 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
SCHEMBL4921884 0.93 CXCR4 (0.52) CCR5MEN1KMT2AOPRM1CHRM3
SCHEMBL4921834 0.92 UBE2M (0.48) CCR5MEN1KMT2AOPRM1CHRM3
SCHEMBL4927352 0.91 MEN1 (0.56) MEN1KMT2AOPRM1CHRM3CHRM2
SCHEMBL4920240 0.90 ACKR3 (0.49) CHRM3ALDH1A1LMNA
SCHEMBL4923509 0.87 CHRM3 (0.51) CCR5MEN1KMT2AOPRM1CHRM3
SCHEMBL4915742 0.87 HRH3 (0.47) MEN1KMT2AOPRM1CHRM2HRH3
SCHEMBL4924921 0.86 SMN1; SMN2 (0.48) ALDH1A1HRH3LMNASMN1; SMN2
SCHEMBL4922893 0.86 CCR5 (0.45) CCR5CHRM3LMNASMN1; SMN2UBE2M
SCHEMBL4922824 0.85 TSHR (0.55) CCR5MEN1KMT2AOPRM1CHRM3
SCHEMBL4921326 0.85 UBE2M (0.49) MEN1KMT2AOPRM1CHRM3CHRM2

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 CCR5 4/4885MEN1 2193/4885KMT2A 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.