SCHEMBL4976038

SCHEMBL4976038

COC(=O)[C@@H](C)N(CCCl)CCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
CA14 Q9ULX7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4973063 0.82 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8373524 0.81 CHRNB2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL28033377 0.81 CHRNB2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL25337703 0.78 CA1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8585524 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL8885327 0.76 PGR (0.42) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL466242 0.76 MEN1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL4979486 0.76 MEN1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8582715 0.75 CHRNB2 (0.33) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL16964691 0.75 ZDHHC7 (0.49) MEN1KMT2AMAPK1CA1CA2

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 12 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 claimed
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2005-10-13 US claimed
EP-1483256-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES Wyeth (US) 2004-12-08 EP claimed
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines WYETH 2003-11-06 US claimed
WO-2003078420-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES WYETH (US) 2003-09-25 WO claimed
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 SMN1; SMN2 1710/4885MEN1 2420/4885KMT2A 1357/4885
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines HTR1D, HTR1A, HTR5A SMN1; SMN2 1526/4885MEN1 1950/4885KMT2A 1586/4885
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines HTR5A, HTR1A, HTR1D SMN1; SMN2 1710/4885MEN1 2420/4885KMT2A 1357/4885

“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.