SCHEMBL1776108

SCHEMBL1776108

[CH2]Nc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 2/20 0.58
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
PKM P14618 1/20 0.51
HTT P42858 3/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL378949 0.82 SMN1; SMN2 (0.62) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1920755 0.80 NPC1 (0.60) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL761129 0.78 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12613199 0.78 SMN1; SMN2 (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10089578 0.78 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29528582 0.78 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL25289019 0.77 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1881837 0.77 SMN1; SMN2 (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1921386 0.75 CLK1 (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6993043 0.75 NPC1 (0.74) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US claimed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP claimed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO claimed
EP-0743945-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2002-03-06 EP claimed
US-5741785-A IMIDAZOLO(1,2-A)QUINOXALINONE COMPOUNDS; ANTIISCHEMIC AGENTS; NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-04-21 US claimed
US-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US disclosed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO disclosed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP disclosed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 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 (2 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-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 MAPT 947/4885SMN1; SMN2 3586/4885NPC1 171/4885
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses COASY, FURIN, PEPD MAPT 2347/4885SMN1; SMN2 3988/4885NPC1 1029/4885

“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.