SCHEMBL7699144

SCHEMBL7699144

CC(C)N1CC(N2CCCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
L3MBTL3 Q96JM7 4/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
FYN P06241 1/20 0.32
HTR6 P50406 1/20 0.30

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
SCHEMBL13860756 0.98 L3MBTL3 (0.33) HRH3L3MBTL3MBTD1L3MBTL1HTR6
SCHEMBL24185494 0.96 HRH3 (0.32) HRH3L3MBTL3MBTD1L3MBTL1FYN
SCHEMBL19699824 0.93 HRH3 (0.33) HRH3L3MBTL3MBTD1
SCHEMBL24854164 0.88 HRH3 (0.31) HRH3
SCHEMBL8260721 0.85 L3MBTL3 (0.41) HRH3L3MBTL3MBTD1L3MBTL1
SCHEMBL25616710 0.85 L3MBTL3 (0.41) HRH3L3MBTL3MBTD1L3MBTL1
SCHEMBL7850115 0.85 L3MBTL3 (0.41) HRH3L3MBTL3MBTD1L3MBTL1
SCHEMBL23588767 0.85 L3MBTL3 (0.41) HRH3L3MBTL3MBTD1L3MBTL1
SCHEMBL31229256 0.85 CYP2D6 (0.33) HRH3L3MBTL3MBTD1L3MBTL1
SCHEMBL8259613 0.85 L3MBTL3 (0.41) HRH3L3MBTL3MBTD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 US disclosed
EP-3978489-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS Inflazome Limited (IE) 2022-04-06 EP disclosed
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-19 US disclosed
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-19 US disclosed
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-9669028-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-06-06 US disclosed
US-20150157624-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 US disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2015-03-12 US disclosed
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-10-16 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
US-8791112-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-07-29 US disclosed
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2013-04-25 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (8 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-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HRH3 565/4885L3MBTL3 4854/4885MBTD1 3605/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 HRH3 565/4885L3MBTL3 4854/4885MBTD1 3605/4885
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HRH3 565/4885L3MBTL3 4854/4885MBTD1 3605/4885
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 HRH3 3668/4885L3MBTL3 3255/4885MBTD1 1351/4885
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 HRH3 870/4885L3MBTL3 1389/4885MBTD1 939/4885
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC HRH3 611/4885L3MBTL3 2774/4885MBTD1 1050/4885
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 HRH3 3668/4885L3MBTL3 3255/4885MBTD1 1351/4885
US-20150157624-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HRH3 565/4885L3MBTL3 4854/4885MBTD1 3605/4885

“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.