SCHEMBL14966985

SCHEMBL14966985

Cc1cc(C(C)O)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.45
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14966998 1.00 UGT2B7 (0.45) UGT2B7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL18685191 0.84 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5941036 0.83 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL20215798 0.82 ALDH1A1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2609187 0.82 LMNA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11484010 0.82 UGT2B7 (0.48) UGT2B7ALDH1A1NOX1LMNATDP1
SCHEMBL27755266 0.80 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22128459 0.80 CHRNA1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16400318 0.80 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL28001830 0.79 UGT2B7 (0.50) UGT2B7TRPA1PTGS1CACNA1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145629-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2025-05-08 US disclosed
US-12145939-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2024-11-19 US disclosed
US-20240043433-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2024-02-08 US disclosed
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2023-09-26 US disclosed
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2023-09-26 US disclosed
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2023-09-26 US disclosed
US-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-08-09 US disclosed
US-20210171530-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-06-10 US disclosed
EP-3357898-B1 METHOD FOR PRODUCING ORGANIC COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-11-25 EP disclosed
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-25 US disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
EP-2822937-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH-RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-12-21 EP disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
EP-2822937-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH - RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2015-01-14 EP disclosed
US-8933079-B2 Pyridone and pyridazinone derivatives as anti-obesity agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-13 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
US-20130237515-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
WO-2013131935-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH - RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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-12145939-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators SCN1A, SCN2A, SCN5A UGT2B7 2224/4885CHRNA1 247/4885CHRNG 327/4885
US-20250145629-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A UGT2B7 2453/4885CHRNA1 201/4885CHRNG 216/4885
US-20240043433-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A UGT2B7 2453/4885CHRNA1 201/4885CHRNG 216/4885
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators SCN1A, SCN2A, SCN5A UGT2B7 2173/4885CHRNA1 257/4885CHRNG 336/4885
US-20210171530-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A UGT2B7 2453/4885CHRNA1 201/4885CHRNG 216/4885
US-20130237515-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MCHR1, MCHR2, MTNR1B UGT2B7 295/4885CHRNA1 73/4885CHRNG 122/4885
US-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase ALDH1A1, ALDH3A1, ALDH16A1 UGT2B7 2400/4885CHRNA1 1798/4885CHRNG 2897/4885
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE ALDH1A1, ALDH3A1, ALDH16A1 UGT2B7 2400/4885CHRNA1 1798/4885CHRNG 2897/4885

“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.