SCHEMBL875207

SCHEMBL875207

C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.[Pd]

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.92
HSD17B10 Q99714 1/20 0.92
ADH1B P00325 3/20 0.50
ADH1C P00326 3/20 0.50
ADH1A P07327 3/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 2/20 0.45
EPHX1 P07099 5/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 2/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL27840764 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657085 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL21375316 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL2397472 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL25122871 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771539 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24839013 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771540 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL20733078 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657086 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045486-B1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2024-03-06 EP disclosed
CN-110526886-B Method for synthesizing 1-oxo-1, 3-dihydro-3-hydroxybenzofuran-5-formic acid 忻州师范学院 2021-04-30 CN disclosed
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2655376-B1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-08-23 EP disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
EP-2788335-B1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES FOR THE TREATMENT OF DISORDERS IN WHICH BETA-SECRETASE IS INVOLVED JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 EP disclosed
EP-2681219-B1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2015-10-28 EP disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
EP-2580200-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
WO-2012038438-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 WO disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
WO-2011154374-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
EP-2379552-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
CN-101039902-B Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-11-10 CN disclosed
WO-2010070008-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-06-24 WO disclosed
CN-101039902-A Aminoalcohol derivatives ASTELLAS PHARMA INC (JP) 2007-09-19 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 (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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3229/4885HSD17B10 2714/4885ADH1B 3511/4885
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 4007/4885HSD17B10 3422/4885ADH1B 3849/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3229/4885HSD17B10 2714/4885ADH1B 3511/4885

“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.