SCHEMBL89047

SCHEMBL89047

COCCCOc1cc(Br)ccc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.43
PPARD Q03181 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL18412824 0.92 PTGDR2 (0.50) PTGDR2KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL15417960 0.88 KDM4E (0.51) PTGDR2KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL1110869 0.88 PTGDR2 (0.51) PTGDR2KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL15417954 0.87 KDM4E (0.50) KDM4EKMT2ALMNASMN1; SMN2NPC1
SCHEMBL21043357 0.85 KDM4E (0.46) PTGDR2KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL17973685 0.84 PTGDR2 (0.51) PTGDR2KDM4ELMNASMN1; SMN2MAOA
SCHEMBL30943166 0.84 PTGDR2 (0.51) PTGDR2KDM4ELMNASMN1; SMN2MAOA
SCHEMBL4207937 0.84 PTGDR2 (0.51) PTGDR2KDM4ELMNASMN1; SMN2MAOA
SCHEMBL88798 0.83 LMNA (0.60) KDM4EKMT2ALMNASMN1; SMN2NPC1
SCHEMBL15087904 0.82 LMNA (0.47) KDM4ELMNASMN1; SMN2MAOBMAPT

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-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
EP-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-04-16 US disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 WO disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 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 (5 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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 PTGDR2 533/4885KDM4E 1612/4885KMT2A 2552/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PTGDR2 186/4885KDM4E 1650/4885KMT2A 3129/4885
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SLC10A1, CYP11B2, CYP11B1 PTGDR2 1878/4885KDM4E 4403/4885KMT2A 3954/4885
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SLC10A1, CYP11B2, CYP11B1 PTGDR2 1878/4885KDM4E 4403/4885KMT2A 3954/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 PTGDR2 325/4885KDM4E 3418/4885KMT2A 2789/4885

“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.