SCHEMBL4911904

SCHEMBL4911904

CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccnc2)cc1)C1CCN(Cc2ccc(OC)c(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.45
UBE2M P61081 3/20 0.44
DCUN1D1 Q96GG9 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACKR3 P25106 1/20 0.44
QPCT Q16769 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR4 Q13639 1/20 0.42
RECQL P46063 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
SCHEMBL4924357 0.89 ALDH1A1 (0.47) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL4924450 0.88 ACKR3 (0.48) ALDH1A1GAAUBE2MDCUN1D1ACKR3
SCHEMBL4922893 0.88 CCR5 (0.45) UBE2MDCUN1D1LMNASMN1; SMN2
SCHEMBL4924883 0.88 TSHR (0.49) TSHRSMN1; SMN2ACKR3
SCHEMBL4916411 0.88 CHRM3 (0.42) LMNASMN1; SMN2
SCHEMBL4912989 0.88 ACKR3 (0.45) UBE2MDCUN1D1LMNASMN1; SMN2ACKR3
SCHEMBL4923492 0.88 PPARG (0.46) ALDH1A1TSHRGAALMNASMN1; SMN2
SCHEMBL4924440 0.88 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19GAAACKR3
SCHEMBL4923464 0.86 POLB (0.48) ALDH1A1GAAUBE2MDCUN1D1LMNA
SCHEMBL4914291 0.86 UBE2M (0.45) UBE2MDCUN1D1LMNASMN1; SMN2MAPK1

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 L3MBTL1 1904/4885ALDH1A1 1255/4885USP2 2901/4885

“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.