SCHEMBL84800

SCHEMBL84800

COCCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
PAOX Q6QHF9 1/20 0.38
GBA1 P04062 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL21664675 0.97 HSD11B1 (0.42) HSD11B1ALDH1A1KDM4ELTA4HMAPT
SCHEMBL20325073 0.93 HSD11B1 (0.40) HSD11B1ALDH1A1KDM4ELTA4HMAPT
SCHEMBL4893194 0.92 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6057032 0.92
SCHEMBL8149011 0.92 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3152433 0.91 HSD11B1 (0.39) HSD11B1ALDH1A1KDM4ELTA4HMAPT
SCHEMBL21025901 0.91 ALDH1A1 (0.47) HSD11B1ALDH1A1KDM4ELTA4HMAPT
SCHEMBL2916819 0.91 CHKA (0.43) HSD11B1KDM4EMEN1KMT2AHRH3
SCHEMBL22778298 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ELTA4HMEN1KMT2A
SCHEMBL13559781 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ELTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP claimed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP claimed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US claimed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP claimed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US claimed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US claimed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US claimed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US claimed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 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 (6 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK HSD11B1 3762/4885ALDH1A1 2208/4885KDM4E 262/4885
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 HSD11B1 4123/4885ALDH1A1 1046/4885KDM4E 862/4885
US-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 HSD11B1 805/4885ALDH1A1 1906/4885KDM4E 302/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP HSD11B1 2754/4885ALDH1A1 4861/4885KDM4E 4155/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI HSD11B1 4234/4885ALDH1A1 1393/4885KDM4E 712/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 HSD11B1 2164/4885ALDH1A1 299/4885KDM4E 342/4885

“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.