SCHEMBL3978255

SCHEMBL3978255

CCCNn1cc(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.50
SLC6A4 P31645 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NQO2 P16083 1/20 0.35
HTR6 P50406 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC2A1 P11166 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
MAPT P10636 1/20 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
Hydrochloric Acid SCHEMBL8709005 0.98 SLC6A2 (0.49) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL8836623 0.79 KDM4E (0.45) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL27703610 0.77 SLC6A2 (0.48) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL8836467 0.75 TERT (0.45) SLC6A2MEN1KMT2AHDAC1HDAC2
SCHEMBL8836020 0.74 SLC6A2 (0.46) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL3632244 0.74 SLC6A2 (0.56) SLC6A2SLC6A4MEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL8835778 0.73 SLC6A2 (0.44) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL11452265 0.70 SLC6A2 (0.51) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL8836040 0.70 SLC6A2 (0.51) SLC6A2SLC6A4MEN1KMT2AHDAC1
SCHEMBL8612793 0.69 CNR2 (0.56) MEN1KMT2AKDM4ECNR1CNR2

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
EP-1678135-B1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMA INC (US) 2009-05-13 EP disclosed
US-7112682-B2 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2006-09-26 US disclosed
EP-1678135-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS Aventis Pharmaceuticals, Inc. (US) 2006-07-12 EP disclosed
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-05-12 US disclosed
WO-2005035496-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2005-04-21 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-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AADAT, KMO, KYNU SLC6A2 675/4885SLC6A4 290/4885MEN1 788/4885

“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.