SCHEMBL6606849

SCHEMBL6606849

O=CCOc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.57
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPN7 P35236 1/20 0.55
ALOX5 P09917 1/20 0.53
PPARG P37231 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
NCOA2 Q15596 2/20 0.53
NCOA1 Q15788 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
RAB9A P51151 5/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Water SCHEMBL9707279 0.98 AGXT (0.55) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL10225842 0.81 CYP2A6 (0.48) AGXTKDM4ETDP1PTPN7CYP1A2
SCHEMBL15279270 0.81 CA12 (0.40) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL29411829 0.80 CYP3A4 (0.60) PPARGMEN1HTTKMT2ARAB9A
SCHEMBL19852194 0.80 CYP3A4 (0.60) PPARGMEN1HTTKMT2ARAB9A
SCHEMBL9114755 0.80 AGXT (0.57) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL30541768 0.80 CA12 (0.57) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL9063782 0.80 AGXT (0.57) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL470906 0.80 CA12 (0.57) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL1954323 0.79 ALDH1A1 (0.51) KDM4EMAPK1PPARGMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292127-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2018-03-14 EP claimed
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 WO claimed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP claimed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 WO claimed
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO claimed
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed
EP-3292127-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2018-03-14 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 WO 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
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 WO disclosed
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
EP-1212309-A4 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2002-11-27 EP disclosed
EP-1212309-A1 CASPASE INHIBITOR LG Chem Investment, Ltd. (KR) 2002-06-12 EP disclosed
WO-2001021600-A1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD. (KR) 2001-03-29 WO disclosed
WO-2001021599-A1 CASPASE INHIBITOR LG CHEMICAL LTD. (KR) 2001-03-29 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 (1 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 AGXT 2649/4885KDM4E 1327/4885MAPK1 4120/4885

“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.