SCHEMBL5352048

SCHEMBL5352048

CC(C)(C)c1cc(I)cc(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.46
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
APP P05067 1/20 0.33
HTR1D P28221 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29942298 1.00 HMGCR (0.46) HMGCRGABRA1GABRB2APPHTR1D
SCHEMBL348572 0.84 GABRA1 (0.40) HMGCRGABRA1GABRB2HTR1DPOLB
SCHEMBL478280 0.84 GABRA1 (0.46) HMGCRGABRA1GABRB2HTR1DPOLB
SCHEMBL18740304 0.79 IDO1 (0.39) HMGCR
SCHEMBL4391448 0.77 TACR1 (0.43) HMGCRGABRA1GABRB2HTR1DPOLB
SCHEMBL9922034 0.77 GABRA1 (0.52) HMGCRGABRA1GABRB2APPHTR1D
SCHEMBL26982475 0.77 TRPA1 (0.36)
SCHEMBL5666262 0.77 GABRA1 (0.46) HMGCRGABRA1GABRB2APPHTR1D
SCHEMBL15574021 0.77 TRPA1 (0.36)
SCHEMBL13208365 0.75 GABRA1 (0.33) HMGCRGABRA1GABRB2HTR1DPOLB

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
EP-4103557-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2025-12-23 US disclosed
EP-4384165-B1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-07-09 EP disclosed
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
EP-4384165-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS Janssen Pharmaceutica NV (BE) 2024-06-19 EP disclosed
CN-118076351-A Monoacylglycerol lipase modulators for autism spectrum disorders 詹森药业有限公司 2024-05-24 CN disclosed
US-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2024-05-07 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
WO-2023019094-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 WO disclosed
CN-115066422-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-09-16 CN disclosed
WO-2021160602-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 WO disclosed
US-20210253565-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
US-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS ELI LILLY AND COMPANY 2014-09-18 US disclosed
WO-2013066640-A1 SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS ELI LILLY AND COMPANY (US) 2013-05-10 WO disclosed
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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 (7 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-20210253565-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC HMGCR 608/4885GABRA1 821/4885GABRB2 282/4885
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 HMGCR 1348/4885GABRA1 1227/4885GABRB2 1458/4885
US-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL HMGCR 391/4885GABRA1 393/4885GABRB2 175/4885
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS LIPC, LPL, MGLL HMGCR 391/4885GABRA1 393/4885GABRB2 175/4885
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC HMGCR 608/4885GABRA1 821/4885GABRB2 282/4885
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL HMGCR 391/4885GABRA1 393/4885GABRB2 175/4885
US-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS RARB, RARA, RARG HMGCR 3734/4885GABRA1 179/4885GABRB2 448/4885

“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.