SCHEMBL436938

SCHEMBL436938

CC(C)N1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DAO P14920 1/20 0.42
MAOB P27338 4/20 0.41
KDM1A O60341 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ADRB2 P07550 1/20 0.36
OPRD1 P41143 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL12205471 0.92 SIGMAR1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL20386998 0.90 KDM4E (0.39) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL1404079 0.86 MAOB (0.46) KMT2ALMNADAOMAOBKDM1A
SCHEMBL20850613 0.85 MAOB (0.40) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL26501053 0.85 DAO (0.52) ALDH1A1KDM4EDAOMAOBKDM1A
SCHEMBL6657810 0.85 DAO (0.52) ALDH1A1KDM4EDAOMAOBKDM1A
SCHEMBL1404040 0.85 MAOB (0.49) KMT2ALMNADAOMAOBKDM1A
SCHEMBL6026483 0.84 KMT2A (0.47) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL1404103 0.83 MAOB (0.50) DAOMAOBKDM1AHRH3
SCHEMBL3201636 0.83 MAOB (0.50) DAOMAOBKDM1AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003989-B1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER SERVIER LAB (FR) 2023-12-27 EP claimed
EP-4003989-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-06-01 EP claimed
WO-2021018858-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER LES LABORATOIRES SERVIER (FR) 2021-02-04 WO claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP claimed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
US-7026503-B2 Method for producing (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP claimed
EP-1399408-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2006-03-22 EP claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US claimed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed

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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 ALDH1A1 215/4885KDM4E 2541/4885KMT2A 2961/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALDH1A1 255/4885KDM4E 2631/4885KMT2A 3750/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 ALDH1A1 58/4885KDM4E 3462/4885KMT2A 4179/4885

“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.