SCHEMBL15543152

SCHEMBL15543152

c1cc2ccc(C3CCNCC3)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.49
HTR2C P28335 8/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TLR9 Q9NR96 3/20 0.39
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
FASN P49327 1/20 0.39
TBK1 Q9UHD2 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
HIPK3 Q9H422 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
SCHEMBL5584631 0.87 QDPR (0.49) QDPRHTR2CSLC18A3SIGMAR1BCHE
SCHEMBL5584149 0.80 SLC6A4 (0.40) ACHESLC6A2SLC6A4SLC6A3FASN
SCHEMBL28218167 0.78 QDPR (0.46) QDPRHTR2CSLC18A3SIGMAR1BCHE
Hydrochloric Acid SCHEMBL28217647 0.76 DRD2 (0.45) QDPRHTR2CBCHEACHETBK1
SCHEMBL23010849 0.74 HTR2C (0.53) QDPRHTR2CSLC18A3SIGMAR1BCHE
SCHEMBL8854137 0.74 QDPR (0.46) QDPRHTR2CSLC18A3SIGMAR1BCHE
SCHEMBL15543864 0.74 FASN (0.44) QDPRSLC6A2SLC6A4SLC6A3FASN
SCHEMBL15544043 0.73 FASN (0.53) QDPRSLC6A2SLC6A4SLC6A3FASN
SCHEMBL6260699 0.72 CYP2A6 (0.40) ACHESLC6A2SLC6A4SLC6A3FASN
SCHEMBL2707542 0.72 SLC18A3 (0.59) QDPRHTR2CSLC18A3SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-9428502-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2016-08-30 US disclosed
US-9428502-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2016-08-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
EP-2870150-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 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 (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-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 QDPR 522/4885HTR2C 2419/4885SLC18A3 2668/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 QDPR 522/4885HTR2C 2419/4885SLC18A3 2668/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 QDPR 522/4885HTR2C 2419/4885SLC18A3 2668/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY QDPR 989/4885HTR2C 2350/4885SLC18A3 4009/4885
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 QDPR 522/4885HTR2C 2419/4885SLC18A3 2668/4885

“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.