SCHEMBL1492674

SCHEMBL1492674

O=C(O)C1(c2cncc(Br)c2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.49
POLB P06746 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
MAP4K4 O95819 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL16751921 0.97 POLB (0.44) AKR1C1POLBHCAR2ITGA4ITGB7
SCHEMBL13048695 0.93 POLB (0.47) AKR1C1POLBHCAR2ITGA4ITGB7
SCHEMBL31226931 0.84 HDAC4 (0.53) POLBHCAR2ITGA4ITGB7HDAC4
SCHEMBL25348541 0.81 KDM4E (0.46) POLBHCAR2ITGA4ITGB7KDM4E
SCHEMBL31226690 0.81 ITGA4 (0.47) POLBHCAR2ITGA4ITGB7KDM4E
SCHEMBL25348648 0.80 POLB (0.41) POLBHCAR2ITGA4ITGB7KDM4E
SCHEMBL30521518 0.80 POLB (0.41) POLBHCAR2ITGA4ITGB7KDM4E
SCHEMBL16196153 0.78 CYP11B2 (0.45) POLBHCAR2ITGA4ITGB7KDM4E
Potassium Ion SCHEMBL749359 0.77 POLB (0.41) POLBHCAR2ITGA4ITGB7KDM4E
SCHEMBL16751926 0.77 AKR1C1 (0.44) AKR1C1HCAR2MAP4K4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 US disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP disclosed
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 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 (6 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 AKR1C1 3661/4885POLB 745/4885HCAR2 3989/4885
US-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 AKR1C1 1768/4885POLB 4606/4885HCAR2 148/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 AKR1C1 1768/4885POLB 4606/4885HCAR2 148/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 AKR1C1 1768/4885POLB 4606/4885HCAR2 148/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG AKR1C1 1581/4885POLB 3038/4885HCAR2 192/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 AKR1C1 1768/4885POLB 4606/4885HCAR2 148/4885

“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.