SCHEMBL4912989

SCHEMBL4912989

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1)C1CCN(Cc2ccc(OC)c(O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM3 P20309 3/20 0.42
F10 P00742 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4922893 0.92 CCR5 (0.45) LMNASMN1; SMN2CHRM3UBE2MDCUN1D1
SCHEMBL4924450 0.92 ACKR3 (0.48) ACKR3CHRM3UBE2MDCUN1D1
SCHEMBL4916411 0.91 CHRM3 (0.42) LMNASMN1; SMN2CHRM3MEN1KMT2A
SCHEMBL4924357 0.91 ALDH1A1 (0.47) LMNASMN1; SMN2
SCHEMBL4923464 0.90 POLB (0.48) ACKR3LMNAUBE2MDCUN1D1ROCK2
SCHEMBL4914291 0.89 UBE2M (0.45) LMNASMN1; SMN2CHRM3UBE2MDCUN1D1
SCHEMBL4924883 0.89 TSHR (0.49) ACKR3SMN1; SMN2CHRM3
SCHEMBL4923492 0.88 PPARG (0.46) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4924440 0.88 ALDH1A1 (0.49) ACKR3
SCHEMBL4911904 0.88 L3MBTL1 (0.49) ACKR3LMNASMN1; SMN2UBE2MDCUN1D1

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 ACKR3 5/4885LMNA 2533/4885SMN1; SMN2 3688/4885

“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.