SCHEMBL3393626

SCHEMBL3393626

O=C(CC1CNCCN1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.62
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 1/20 0.46
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9038558 0.82 GLA (0.60) GLALTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL9060376 0.81 GLA (0.59) GLALTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL25502064 0.79 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL17726560 0.78 HTR2C (0.55) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL22404739 0.78 MAN2A1 (0.43) GLALTA4HALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL25205278 0.78 GLA (0.52) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL29036584 0.78 GLA (0.55) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL27372387 0.77 TSHR (0.54) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL28008564 0.77 ALDH1A1 (0.52) GLALTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL8948696 0.77 KMT2A (0.51) GLAALDH1A1MAPK1L3MBTL1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines WU WENXUE 2010-09-30 US disclosed
US-7745626-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2010-06-29 US disclosed
EP-2141143-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-2141153-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-1490346-B1 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORP (US) 2009-12-02 EP disclosed
US-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines WU WENXUE (US) 2005-08-04 US disclosed
US-6872826-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2005-03-29 US disclosed
EP-1490346-A2 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORPORATION (US) 2004-12-29 EP disclosed
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION 2003-11-06 US disclosed
WO-2003084942-A2 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORPORATION (US) 2003-10-16 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-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, ALKBH5, DNMT1 GLA 4604/4885LTA4H 2577/4885ALDH1A1 578/4885
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, DNMT1, ALKBH5 GLA 4619/4885LTA4H 2653/4885ALDH1A1 492/4885
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines ALKBH5, AZI2, PNMT GLA 4793/4885LTA4H 2154/4885ALDH1A1 449/4885

“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.