SCHEMBL5737010

SCHEMBL5737010

O=C(NCCN1CCNCC1)Nc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
NAMPT P43490 7/20 0.55
CNR1 P21554 3/20 0.54
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
ALDH1A1 P00352 1/20 0.48
MDM2 Q00987 1/20 0.47

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
SCHEMBL27626389 0.80 HTR1A (0.68) MEN1POLBKMT2ANAMPTNPSR1
SCHEMBL5733628 0.80 MAPT (0.71) MEN1POLBKMT2ANAMPTCNR1
SCHEMBL8304884 0.78 CYP3A4 (0.63) CYP3A4CYP2D6MEN1KMT2AKDM4E
SCHEMBL13595586 0.73 KDM4E (0.52) MEN1POLBKMT2AKDM4EGAA
SCHEMBL8300077 0.73 CYP3A4 (0.56) CYP3A4CYP2D6KDM4EGAAHSD17B10
SCHEMBL15329158 0.73 CYP3A4 (1.00) CYP3A4CYP2D6NAMPTKDM4EGAA
SCHEMBL10923255 0.73 KMT2A (0.97) MEN1POLBKMT2ACNR1NPSR1
SCHEMBL7670700 0.72 POLB (0.69) CYP3A4CYP2D6POLBKMT2AGAA
SCHEMBL22064075 0.72 ALDH1A1 (0.61) CYP2D6MEN1POLBKMT2ANPSR1
SCHEMBL10921358 0.71 KMT2A (1.00) MEN1POLBKMT2ACNR1NPSR1

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-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US disclosed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP disclosed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 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-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 CYP3A4 1417/4885CYP2D6 1458/4885MEN1 1785/4885

“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.