SCHEMBL2227083

SCHEMBL2227083

O=C(O)c1coc(C=Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYP1A2 P05177 2/20 0.40
P2RX3 P56373 1/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL2227080 1.00 ELANE (0.43) ELANESMN1; SMN2NPC1RAB9ATDP1
SCHEMBL12035175 0.87 GLA (0.43) ELANESMN1; SMN2NPC1RAB9ATDP1
SCHEMBL28475472 0.87 JUN (0.43) SMN1; SMN2NPC1RAB9AMAPTHDAC1
SCHEMBL27899541 0.83 CYP1A2 (0.57) ELANESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5558914 0.82 ERBB2 (0.53) HDAC1HDAC8HDAC6CYP1A2HDAC3
SCHEMBL5558910 0.82 ERBB2 (0.53) HDAC1HDAC8HDAC6CYP1A2HDAC3
SCHEMBL20595837 0.81 CES1 (0.39) TDP1L3MBTL1ALDH1A1HDAC1HDAC8
SCHEMBL740361 0.80 ADORA3 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1MAPT
SCHEMBL740362 0.80 ADORA3 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1MAPT
SCHEMBL5558717 0.79 DRD1 (0.39) NPC1RAB9AMAPTALDH1A1LMNA

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
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 US disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 WO disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
EP-2649068-B1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-8846733-B2 Oxazolyl-methylether derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
EP-2649068-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-10-16 EP disclosed
US-20130261159-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-03 US disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2012077049-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-14 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A ELANE 3351/4885SMN1; SMN2 3758/4885NPC1 1088/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ELANE 206/4885SMN1; SMN2 3005/4885NPC1 585/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ELANE 206/4885SMN1; SMN2 3005/4885NPC1 585/4885
US-20130261159-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX7, ADORA3, P2RX1 ELANE 3607/4885SMN1; SMN2 2140/4885NPC1 3813/4885

“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.