SCHEMBL82594

SCHEMBL82594

Brc1ccccc1OC1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.62
HTR1A P08908 5/20 0.57
SLC6A2 P23975 5/20 0.57
SLC6A3 Q01959 2/20 0.57
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
SLC6A4 P31645 2/20 0.42
HTR2C P28335 1/20 0.42
KHK P50053 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
Hydrochloric Acid SCHEMBL3142742 0.98 HRH1 (0.60) HRH1HTR1ASLC6A2SLC6A3IKBKB
SCHEMBL1927075 0.89 HTR1A (0.59) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL13234940 0.89 HTR1A (0.59) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2944657 0.88 HTR1A (0.57) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2944236 0.88 HTR1A (0.57) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL2404772 0.86 HRH1 (0.43) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL31652114 0.86 HRH1 (0.43) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Trifluoroacetic Acid SCHEMBL69693 0.85 HRH1 (0.51) HRH1HTR1ASLC6A2SLC6A3
SCHEMBL26639622 0.83 HRH1 (0.51) HRH1HTR1ASLC6A2SLC6A3IKBKB
SCHEMBL30657423 0.83 HRH1 (0.51) HRH1HTR1ASLC6A2SLC6A3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456204-B Benzothiazine derivative, and preparation method and application thereof 四川大学 2023-05-26 CN disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
EP-2057159-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-05-13 EP disclosed
US-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 WO disclosed
EP-1910352-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2008017161-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed
WO-2007134457-A1 CYCLIC AMINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed
WO-2007009236-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (5 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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase SCD, SCD5, SREBF1 HRH1 3088/4885HTR1A 1843/4885SLC6A2 4249/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R HRH1 1136/4885HTR1A 667/4885SLC6A2 4753/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HRH1 3572/4885HTR1A 4153/4885SLC6A2 4356/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R HRH1 1472/4885HTR1A 1244/4885SLC6A2 4750/4885
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 HRH1 4037/4885HTR1A 2883/4885SLC6A2 4749/4885

“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.