SCHEMBL2073087

SCHEMBL2073087

C=C(C)CNCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DPP7 Q9UHL4 2/20 0.47
SIGMAR1 Q99720 3/20 0.47
MAOA P21397 1/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1913535 0.83 MEN1 (0.56) MEN1KMT2ATDP1DPP7SIGMAR1
SCHEMBL9316674 0.82 MEN1 (0.47) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL19882179 0.80 CA12 (0.49) TDP1DPP7CYP3A4CA12CA1
SCHEMBL10740603 0.80 SMN1; SMN2 (0.60) MEN1KMT2ATDP1MAPTGAA
SCHEMBL12809838 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL19273403 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7SIGMAR1
SCHEMBL16935682 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL29204655 0.79 SIGMAR1 (0.64) MEN1KMT2ASIGMAR1
SCHEMBL15826100 0.79 DPP7 (0.58) MEN1KMT2ADPP7CHRM2GAA
SCHEMBL24712403 0.78 ALDH1A1 (0.43) MEN1KMT2ATDP1DPP7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822037-B Method for efficiently synthesizing imidazoline derivative with high atom economy 复旦大学 2021-08-20 CN claimed
CN-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN disclosed
CN-108822037-B Method for efficiently synthesizing imidazoline derivative with high atom economy 复旦大学 2021-08-20 CN disclosed
EP-2686325-B1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-12-14 EP disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-8729274-B2 Tricyclic heterocyclic derivatives MERCK SHARP & DOHME B.V. (NL) 2014-05-20 US disclosed
US-8729274-B2 Tricyclic heterocyclic derivatives MERCK SHARP & DOHME B.V. (NL) 2014-05-20 US disclosed
US-8729274-B2 Tricyclic heterocyclic derivatives MERCK SHARP & DOHME B.V. (NL) 2014-05-20 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
EP-0009302-B1 CLAVULANIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-10-26 EP disclosed
US-4359473-A α-Amino deoxy clavulanic acid antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-11-16 US disclosed
EP-0009302-A1 Clavulanic acid derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1980-04-02 EP 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 (2 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-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 MEN1 1878/4885KMT2A 1876/4885TDP1 4146/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MEN1 660/4885KMT2A 588/4885TDP1 2242/4885

“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.