SCHEMBL3210049

SCHEMBL3210049

O=C(O)NCCc1c[nH]c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
MTNR1A P48039 2/20 0.50
LTA4H P09960 3/20 0.49
PLA2G2A P14555 3/20 0.49
PTGS2 P35354 2/20 0.49
MTNR1B P49286 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
FAAH O00519 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8142211 0.88 MTNR1A (0.66) HDAC1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL3204579 0.81 IDO1 (0.51) HDAC1MTNR1APTGS2MTNR1BMEN1
SCHEMBL19100362 0.81 HPGD (0.50) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL1120411 0.80 HTR2A (0.58) HDAC1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL20258555 0.78 HDAC1 (0.44) HDAC1MTNR1APTGS2MTNR1BMEN1
SCHEMBL10185730 0.78 KDM4E (0.53) HDAC1MEN1KMT2ALMNACYP1A2
SCHEMBL27612173 0.78 HDAC1 (0.46) HDAC1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL24792234 0.77 HTR2A (0.60) HDAC1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL4882954 0.77 HDAC1 (0.47) HDAC1MTNR1APTGS2MTNR1BMEN1
SCHEMBL6394942 0.77 MEN1 (0.76) MEN1KMT2ANPC1RAB9ALMNA

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-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HDAC1 1815/4885MTNR1A 59/4885LTA4H 422/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HDAC1 1967/4885MTNR1A 76/4885LTA4H 425/4885
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A HDAC1 1301/4885MTNR1A 58/4885LTA4H 1226/4885

“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.