SCHEMBL1704674

SCHEMBL1704674

Fc1ccc(NC2CCNCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MAOB P27338 1/20 0.53
APP P05067 3/20 0.49
HTR6 P50406 7/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MLNR O43193 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL6559451 0.89 KDM1A (0.47) KDM1AMAOBAPPHTR6NPC1
SCHEMBL6559446 0.89 KDM1A (0.47) KDM1AMAOBAPPHTR6NPC1
SCHEMBL12184793 0.86 KDM1A (0.44) KDM1AMAOBAPPHTR6MAPK1
SCHEMBL2088083 0.86 HTR6 (0.43) KDM1AMAOBAPPHTR6PDK2
SCHEMBL245476 0.86 NPC1 (0.49) KDM1ANPC1RAB9ASMN1; SMN2PTGS1
Hydrochloric Acid SCHEMBL17502528 0.84 NPC1 (0.47) KDM1ANPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL1704157 0.82 CTSL (0.47) KDM1AMAOBAPPHTR6MAPKAPK2
SCHEMBL377872 0.82 HRH2 (0.48) KDM1AMAOBHTR6
SCHEMBL377787 0.82 KDM1A (0.45) KDM1AHTR6
SCHEMBL377433 0.81 HTR6 (0.54) KDM1AMAOBHTR6MAPK1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 WO disclosed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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 (6 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X KDM1A 3193/4885MAOB 1489/4885APP 3795/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 KDM1A 3272/4885MAOB 1619/4885APP 3667/4885
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 KDM1A 2249/4885MAOB 2454/4885APP 2562/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 KDM1A 3415/4885MAOB 2264/4885APP 2706/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 KDM1A 2751/4885MAOB 1491/4885APP 3767/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 KDM1A 3487/4885MAOB 1376/4885APP 3789/4885

“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.