SCHEMBL882971

SCHEMBL882971

COc1ccnc(C(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SORD Q00796 3/20 0.45
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NNMT P40261 3/20 0.40
CYP1A2 P05177 1/20 0.38
KMO O15229 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
FFAR1 O14842 1/20 0.35
ACACB O00763 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL31403767 1.00 MTNR1A (0.47) MTNR1AMTNR1BSORDPOLBTDP1
SCHEMBL2723992 0.85 KMO (0.50) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL31344571 0.83 ALDH1A1 (0.47) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL28051846 0.83 NNMT (0.50) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL882972 0.81 MAPK8 (0.47) SORDTDP1CYP1A2KDM4EALDH1A1
SCHEMBL6635914 0.80 KDR (0.44) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL27884234 0.80 MTNR1A (0.43) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL20931377 0.79 P2RX7 (0.52) MTNR1AMTNR1BPOLBNNMTCYP1A2
SCHEMBL30711661 0.78 ATR (0.39) MTNR1AMTNR1BPOLBTDP1NNMT
SCHEMBL3406277 0.78 MTNR1A (0.45) MTNR1AMTNR1BPOLBTDP1NNMT

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
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
US-7030128-B2 Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction MERCK SHARP & DOHME LTD. (GB) 2006-04-18 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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 (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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 MTNR1A 527/4885MTNR1B 550/4885SORD 1598/4885
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 MTNR1A 517/4885MTNR1B 627/4885SORD 2147/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR MTNR1A 1564/4885MTNR1B 474/4885SORD 331/4885

“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.