SCHEMBL794423

SCHEMBL794423

O=C(OCc1ccccc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
SMN1; SMN2 Q16637 5/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 3/20 0.68
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.54
GRIN2B Q13224 3/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 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
SCHEMBL6557909 1.00 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 1.00 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29927440 0.98 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27499702 0.98 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.98 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.98 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27804056 0.97 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrogen Sulfide SCHEMBL28243160 0.97 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Methylene Chloride SCHEMBL28167523 0.95 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.95 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 473 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
CN-102803255-A Novel GPR 119 agonists CADILA HEALTHCARE LTD 2012-11-28 CN claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO claimed
EP-1855696-B1 9A-CARBAMOYL-Y-AMINOPROPYL- AND 9A-THIOCARBAMOYL-Y-AMINOPROPYL-AZALIDES WITH ANTIMALARIAL ACTIVITY GLAXOSMITHKLINE ZAGREB (HR) 2010-04-28 EP claimed
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2008-08-21 US claimed
EP-1855696-A2 9A-CARBAMOYL-Y-AMINOPROPYL- AND 9A-THIOCARBAMOYL-Y-AMINOPROPYL-AZALIDES WITH ANTIMALARIAL ACTIVITY GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-11-21 EP claimed
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US claimed
WO-2006085228-A2 9A-CARBAMOYL-Y-AMINOPROPYL AND 9A-THIOCARBAMOYL-Y-AMINOPROPYL-AZALIDES WITH ANTIMALARIAL ACTIVITY GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (GB) 2006-08-17 WO claimed
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP claimed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP claimed
US-20030149027-A1 1,5-benzodiazepine compounds, their production and use OI SATORU (JP) 2003-08-07 US claimed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US claimed
EP-1123928-A1 1,5-BENZODIAZEPINE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND MEDICINE Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP claimed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP claimed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP claimed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN claimed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO claimed
EP-0302788-A1 2-[Methyl(4-piperidinyl)]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b] indole derivatives, their preparation and therapeutical use SYNTHELABO (FR) 1989-02-08 EP claimed

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-20030149027-A1 1,5-benzodiazepine compounds, their production and use GABRA1, GABRA5, CNR1 MEN1 3395/4885KMT2A 1490/4885NPSR1 125/4885
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides DCTD, DHODH, DHRS9 MEN1 3967/4885KMT2A 765/4885NPSR1 3503/4885

“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.