SCHEMBL4134072

SCHEMBL4134072

CC(=O)N1CCC(n2c(C)nc3ccncc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
LMNA P02545 1/20 0.51
BRD4 O60885 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP2D6 P10635 1/20 0.45
CCR5 P51681 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
PKM P14618 3/20 0.43
USP2 O75604 1/20 0.43
IKBKB O14920 1/20 0.42
FPR2 P25090 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
SCHEMBL3587019 0.84 GPR119 (0.49) LMNACCR5
SCHEMBL4011542 0.81 CCR5 (0.42) DYRK1ALMNAL3MBTL1CYP2D6CCR5
SCHEMBL4011538 0.81 CCR5 (0.42) DYRK1ALMNAL3MBTL1CYP2D6CCR5
SCHEMBL4138903 0.80 CCR5 (0.58) DYRK1ALMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL3107681 0.80 PIK3CA (0.51) DYRK1ALMNABRD4SMN1; SMN2MAPK1
SCHEMBL3591644 0.78 JAK2 (0.49) L3MBTL1CYP2D6CCR5KDM4EALDH1A1
SCHEMBL6167230 0.77 CCR5 (0.42) LMNAL3MBTL1CYP2D6CCR5
SCHEMBL6167224 0.77 CCR5 (0.42) LMNAL3MBTL1CYP2D6CCR5
SCHEMBL4134368 0.76 CCR5 (0.54) LMNASMN1; SMN2MAPK1L3MBTL1CYP2D6
SCHEMBL13752047 0.76 CCR5 (0.49) DYRK1ALMNASMN1; SMN2MAPK1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 DYRK1A 4096/4885LMNA 4759/4885BRD4 598/4885

“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.