SCHEMBL1840032

SCHEMBL1840032

O=C(CCNC1(C(=O)O)CCCCC1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTR7 P34969 1/20 0.42
PLOD2 O00469 1/20 0.42
HSD11B1 P28845 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 2/20 0.40
ACKR3 P25106 1/20 0.39
PTPN1 P18031 1/20 0.39
CTNNB1 P35222 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL1837320 0.75 CNR2 (0.49) NPC1RAB9A
SCHEMBL4609662 0.71 CYP1A2 (0.60) NPC1RAB9AHSD11B1MEN1KMT2A
SCHEMBL3672269 0.71 NPC1 (0.60) NPC1RAB9AHTR7PLOD2HSD11B1
SCHEMBL17301675 0.70 NPC1 (0.64) NPC1RAB9AHTR7PLOD2HSD11B1
SCHEMBL4197441 0.70 CES2 (0.36) NPC1RAB9AHSD11B1DRD2
SCHEMBL14398914 0.69 HSD11B1 (0.48) NPC1RAB9AHSD11B1ACKR3MEN1
SCHEMBL26584242 0.69 NPC1 (0.82) NPC1RAB9AHTR7PLOD2HSD11B1
SCHEMBL14294951 0.69 NPC1 (0.62) NPC1RAB9AHTR7PLOD2HSD11B1
SCHEMBL9775167 0.68 CA12 (0.57) NPC1RAB9AHTR7HSD11B1MEN1
SCHEMBL14784581 0.68 HSD11B1 (0.49) NPC1RAB9AHTR7PLOD2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
EP-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 EP disclosed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP disclosed
EP-1972636-A1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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 (4 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV NPC1 342/4885RAB9A 2249/4885HTR7 1407/4885
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB NPC1 880/4885RAB9A 989/4885HTR7 680/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE NPC1 351/4885RAB9A 141/4885HTR7 758/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV NPC1 477/4885RAB9A 513/4885HTR7 796/4885

“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.