SCHEMBL4282303

SCHEMBL4282303

Cc1cccc(C)c1NC(=O)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
LMNA P02545 2/20 0.50
STAT3 P40763 1/20 0.50
USP2 O75604 2/20 0.49
HRH4 Q9H3N8 1/20 0.48
PAK1 Q13153 1/20 0.47
ATM Q13315 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3227362 0.83 POLB (1.00) POLBATMALDH1A1HTTL3MBTL1
SCHEMBL6015071 0.83 NPC1 (0.60) POLBMAPTHTTGAA
SCHEMBL1221514 0.83 POLB (0.60) POLBLMNAALDH1A1GAA
SCHEMBL14046661 0.82 POLB (0.73) POLBLMNASTAT3USP2PAK1
SCHEMBL7440948 0.81 POLB (0.71) POLBLMNASTAT3USP2PAK1
SCHEMBL654102 0.77 ALDH1A1 (0.76) POLBLMNAUSP2ALDH1A1MAPT
SCHEMBL1777934 0.77 ALDH1A1 (0.57) POLBLMNAUSP2ALDH1A1ALOX15
Piperazine SCHEMBL11871903 0.76 ALDH1A1 (0.48) POLBLMNAATMALDH1A1MAPT
SCHEMBL10837199 0.76 ATM (0.76) POLBLMNAATMALDH1A1CYP2D6
SCHEMBL698365 0.75 NPC1 (0.71) POLBLMNAALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318697-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE MEDICHEM, S.A. (ES) 2009-12-24 US claimed
US-20090318697-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE MEDICHEM, S.A. (ES) 2009-12-24 US disclosed
US-20090318697-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE MEDICHEM, S.A. (ES) 2009-12-24 US disclosed
WO-2009153651-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE MEDICHEM, S.A. (ES) 2009-12-23 WO disclosed
WO-2009153651-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE MEDICHEM, S.A. (ES) 2009-12-23 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-20090318697-A1 PROCESS FOR PREPARING A PIPERAZINE DERIVATIVE PTGER1, PTGER2, SCN5A POLB 837/4885LMNA 1693/4885STAT3 4877/4885

“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.