SCHEMBL4921979

SCHEMBL4921979

COc1ccc(CNC(=O)c2ccc(CN(C(=O)C3CC3)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
ACKR3 P25106 1/20 0.48
CACNA1G O43497 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
QPCT Q16769 1/20 0.45
DRD3 P35462 1/20 0.45
TP53 P04637 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL4913819 0.97 ALDH1A1 (0.57) ALDH1A1GAAPOLBATMSMN1; SMN2
SCHEMBL4924861 0.97 ALDH1A1 (0.57) ALDH1A1GAAPOLBATMSMN1; SMN2
SCHEMBL4920726 0.93 LMNA (0.50) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL4924890 0.92 SMN1; SMN2 (0.49) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL4924123 0.92 ALDH1A1 (0.56) ALDH1A1GAAPOLBATMSMN1; SMN2
SCHEMBL4916484 0.90 SMN1; SMN2 (0.47) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL4923478 0.89 ALDH1A1 (0.55) ALDH1A1GAAPOLBATMSMN1; SMN2
SCHEMBL4915837 0.89 ALDH1A1 (0.55) ALDH1A1GAAPOLBATMSMN1; SMN2
SCHEMBL4923881 0.89 LMNA (0.49) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL4924914 0.89 LMNA (0.49) ALDH1A1GAAPOLBSMN1; SMN2LMNA

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 ALDH1A1 1255/4885GAA 4442/4885POLB 2562/4885

“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.