SCHEMBL6927448

SCHEMBL6927448

COc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.74
MTNR1B P49286 6/20 0.73
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 2/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP1A1 P04798 1/20 0.73
MPO P05164 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
HTR1A P08908 1/20 0.73
CYP2D6 P10635 1/20 0.73
HPGD P15428 1/20 0.73
NQO2 P16083 1/20 0.73
HTR2B P41595 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73
CYP1B1 Q16678 1/20 0.73
NOTUM Q6P988 1/20 0.73

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
SCHEMBL8868871 0.94 MTNR1A (0.65) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL28872503 0.89 MTNR1A (0.83) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL14961084 0.89 TRPM8 (0.63) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL25734745 0.88 TRPV1 (0.66) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL30418479 0.88 TRPV1 (0.66) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL7214730 0.87 LTA4H (0.59) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL17213596 0.87 MTNR1A (0.56) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL8869773 0.87 LTA4H (0.59) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL26989647 0.86 MTNR1A (0.55) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6930033 0.86 MTNR1A (0.81) MTNR1AMTNR1BKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008341-A1 SEROTONIN ANALOGUES FOR USE IN TREATING METALLOPTOSIS-ASSOCIATED DISORDERS INSTITUT CURIE (FR) 2024-01-11 WO disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 EP disclosed
EP-4165023-A1 INHIBITORS OF APOL1 AND USE OF THE SAME Vertex Pharmaceuticals Incorporated (US) 2023-04-19 EP disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
EP-3870234-B1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2022-12-21 EP disclosed
EP-4101855-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2022-12-14 EP disclosed
WO-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
WO-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
US-20170049904-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF BIOGEN MA INC. (US) 2017-02-23 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20140045845-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2014-02-13 US disclosed
US-8524660-B2 Polyalkylene polymer compounds and uses thereof BIOGEN IDEC MA INC. (US) 2013-09-03 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
US-20120014916-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF BIOGEN MA INC. 2012-01-19 US disclosed
US-8017733-B2 Covalent attachment of hydrophilic polymers, such as polyalkylene glycol polymers, also known as polyalkylene oxides, to biologically-active molecules BIOGEN IDEC MA INC. (US) 2011-09-13 US disclosed
WO-2004085395-A1 MELATONIN DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL DYSFUNCTIONS FAUST PHARMACEUTICALS (FR) 2004-10-07 WO disclosed
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 US 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-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 MTNR1A 3104/4885MTNR1B 2778/4885KMT2A 4362/4885
US-20140045845-A1 NOVEL PYRIMIDINE DERIVATIVES TYMS, DPYD, TYMP MTNR1A 3197/4885MTNR1B 2890/4885KMT2A 2440/4885
US-20170049904-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF HAVCR2, TLR3, CCR8 MTNR1A 3802/4885MTNR1B 3510/4885KMT2A 3367/4885
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MTNR1A 3619/4885MTNR1B 3538/4885KMT2A 2089/4885
US-20120014916-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF HAVCR2, TLR3, CCR8 MTNR1A 3802/4885MTNR1B 3510/4885KMT2A 3367/4885

“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.