Sugi Predict

Sugi Predict / Compounds / SCHEMBL4979486

SCHEMBL4979486

SCHEMBL4979486

CC(C(=O)O)N(CCCl)CCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ ADRA2A P08913 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL466242 1.00 MEN1 (0.39) MEN1KMT2ATP53CYP3A4ALDH1A1
SCHEMBL4975278 0.79 MEN1 (0.37) MEN1KMT2AMAPT
SCHEMBL233619 0.78 TP53 (0.35) MEN1KMT2ATP53ALDH1A1ADRA2A
SCHEMBL2204496 0.78 FDPS (0.43) TP53ADRA2AKCNH2CHRM1DRD3
SCHEMBL755798 0.78 FDPS (0.43) TP53ADRA2AKCNH2CHRM1DRD3
SCHEMBL186682 0.78 TP53 (0.35) MEN1KMT2ATP53ALDH1A1ADRA2A
SCHEMBL15050278 0.76 TP53 (0.33) MEN1KMT2ATP53ALDH1A1ADRA2A
SCHEMBL3421975 0.76 GABRR1 (0.44) TP53ADRA2AKCNH2SMPD2ADRA2B
SCHEMBL15050275 0.76 TP53 (0.33) MEN1KMT2ATP53ALDH1A1ADRA2A
SCHEMBL7781254 0.76 CYP1A2 (0.44) ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058543-A1 Process for making chiral 1,4-disubstituted piperazines ZELDIS JOSEPH 2008-03-06 — — US disclosed
US-7256289-B2 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2007-08-14 — — US disclosed
US-7019137-B2 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2006-03-28 — — US disclosed
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2005-10-13 — — US disclosed
EP-1483256-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES Wyeth (US) 2004-12-08 — — EP disclosed
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines WYETH 2003-11-06 — — US disclosed
WO-2003078420-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES WYETH (US) 2003-09-25 — — 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 (3 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-20080058543-A1 Process for making chiral 1,4-disubstituted piperazines HTR5A, HTR1A, HTR1D MEN1 2420/4885KMT2A 1357/4885TP53 4608/4885
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines HTR1D, HTR1A, HTR5A MEN1 1950/4885KMT2A 1586/4885TP53 4591/4885
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines HTR5A, HTR1A, HTR1D MEN1 2420/4885KMT2A 1357/4885TP53 4608/4885

“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.