SCHEMBL624832

SCHEMBL624832

Nc1ncccc1-c1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K4 O95819 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP11B2 P19099 1/20 0.44
S1PR1 P21453 4/20 0.42
S1PR5 Q9H228 1/20 0.42
NOTUM Q6P988 2/20 0.41
PIK3CA P42336 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
SLC6A7 Q99884 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL16442537 0.81 DGAT1 (0.45) DGAT1LMNAKDM4EMAPK1HSD17B10
SCHEMBL28534069 0.78 ALDH1A1 (0.52) DGAT1KDM4EHSD17B10S1PR1S1PR5
SCHEMBL625262 0.78 BTK (0.50) MKNK1MKNK2MAP4K4
SCHEMBL27649734 0.74 S1PR1 (0.49) DGAT1LMNAS1PR1S1PR5NOTUM
SCHEMBL2718434 0.73 CYP11B2 (0.43) KDM4EMAPK1CYP11B2SMN1; SMN2GAA
Hydrogen Sulfide SCHEMBL27619443 0.73 S1PR1 (0.48) DGAT1LMNAS1PR1S1PR5NOTUM
SCHEMBL15407177 0.73 MKNK1 (0.50) DGAT1MKNK1MKNK2
SCHEMBL14555461 0.73 SMN1; SMN2 (0.55) LMNAKDM4EMAPK1TSHRHTT
SCHEMBL25455597 0.72 MAPK1 (0.50) DGAT1LMNAKDM4EMAPK1HSD17B10
SCHEMBL623411 0.72 MAP4K4 (0.61) MKNK1MKNK2MAP4K4KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 US disclosed
US-9499568-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-8916551-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778934-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
CN-103180326-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2013-06-26 CN disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 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 (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-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885

“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.