SCHEMBL590146

SCHEMBL590146

COc1cnc2cccc(CO)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1B P49286 11/20 0.38
MTNR1A P48039 10/20 0.38
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
PTPN11 Q06124 2/20 0.37

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
SCHEMBL14400280 0.85 NPC1 (0.41) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL592558 0.84 NPC1 (0.40) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL3788006 0.83 TSHR (0.38) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL3788001 0.83 TSHR (0.38) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL3410540 0.83 MTNR1A (0.43) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL592684 0.82 MEN1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2MTNR1B
SCHEMBL592490 0.81 NPC1 (0.40) NPC1HTTRAB9ANPSR1RXFP1
SCHEMBL1712335 0.81 MTNR1B (0.42) KDM4EALDH1A1MAPTSMN1; SMN2MTNR1B
SCHEMBL3329530 0.81 MTNR1B (0.44) KDM4EALDH1A1SMN1; SMN2MTNR1BMTNR1A
SCHEMBL3407813 0.80 MAPT (0.38) NPC1HTTRAB9ANPSR1RXFP1

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-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
EP-2094267-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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 (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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY NPC1 4201/4885HTT 3101/4885RAB9A 2512/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 NPC1 3247/4885HTT 2861/4885RAB9A 3502/4885
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 NPC1 1918/4885HTT 893/4885RAB9A 415/4885

“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.