SCHEMBL2620973

SCHEMBL2620973

CCc1cccc2ncoc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ELANE P08246 9/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR1A P08908 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ACLY P53396 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
SCHEMBL20354320 0.81 MTNR1A (0.50) MTNR1AMTNR1BGABRA1GABRB2ELANE
SCHEMBL27610316 0.81 MTNR1A (0.62) MTNR1AMTNR1BHTR2AHTR2CKCNH2
SCHEMBL15887325 0.81 MTNR1A (0.60) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL11785137 0.81 MTNR1A (0.46) MTNR1AMTNR1BGABRA1GABRB2ELANE
SCHEMBL1272629 0.81 MTNR1A (0.50) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL17361326 0.81 MTNR1A (0.49) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL3819476 0.81 MTNR1A (0.49) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL21067244 0.81 MTNR1A (0.49) MTNR1AMTNR1BGABRA1GABRB2ELANE
SCHEMBL12053305 0.78 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL5541930 0.78 MTNR1A (0.54) MTNR1AMTNR1BELANEHTR2AHTR2C

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2023098815-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 上海栖臻医药科技有限公司 2023-06-08 WO disclosed
WO-2023020518-A1 N-CYCLOPROPYLPYRIDO [4, 3-D] PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 US disclosed
WO-2020113554-A1 QUINOLINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2020-06-11 WO disclosed
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 US disclosed
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA, INC. (US) 2012-09-27 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (11 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MTNR1A 3091/4885MTNR1B 3129/4885GABRA1 4596/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS MTNR1A 4097/4885MTNR1B 3636/4885GABRA1 2769/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 MTNR1A 1702/4885MTNR1B 2000/4885GABRA1 4334/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MTNR1A 3091/4885MTNR1B 3129/4885GABRA1 4596/4885
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 MTNR1A 96/4885MTNR1B 92/4885GABRA1 632/4885
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MTNR1A 4321/4885MTNR1B 3877/4885GABRA1 4556/4885
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 MTNR1A 667/4885MTNR1B 529/4885GABRA1 3305/4885
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME OPRL1, OPRK1, OPRM1 MTNR1A 78/4885MTNR1B 131/4885GABRA1 67/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS MTNR1A 3819/4885MTNR1B 3614/4885GABRA1 3975/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C MTNR1A 4321/4885MTNR1B 3877/4885GABRA1 4556/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 MTNR1A 2631/4885MTNR1B 2433/4885GABRA1 976/4885

“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.