SCHEMBL4535683

SCHEMBL4535683

FC(F)Oc1ccc(CBr)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
RXRA P19793 9/20 0.36
GRIN1 Q05586 9/20 0.36
GRIN2B Q13224 9/20 0.36
ALKBH1 Q13686 1/20 0.33
DRD1 P21728 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29974801 1.00 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL19555693 0.81 MBOAT4 (0.45) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL18378650 0.81 MBOAT4 (0.45) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL2895609 0.81 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL19771881 0.77 MBOAT4 (0.43) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL30106088 0.76 ATM (0.44) MBOAT4HCRTR1HCRTR2ALKBH1NPC1
SCHEMBL27847702 0.76 ATM (0.44) MBOAT4HCRTR1HCRTR2ALKBH1NPC1
SCHEMBL28129456 0.75 MBOAT4 (0.41) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL23224312 0.75 MBOAT4 (0.39) MBOAT4RXRAGRIN1GRIN2BCCR1
SCHEMBL30015156 0.75 CA12 (0.40) MBOAT4MEN1KMT2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
EP-2991994-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2016-03-09 EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MBOAT4 1555/4885HCRTR1 2/4885HCRTR2 1/4885
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA MBOAT4 3758/4885HCRTR1 2007/4885HCRTR2 2091/4885

“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.