SCHEMBL2913451

SCHEMBL2913451

COC(=O)CC1CNCCS1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.34
MAOB P27338 3/20 0.32
BRD4 O60885 1/20 0.32
MAP2K1 Q02750 2/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30

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 SCHEMBL28686169 0.98 MAOA (0.33) MAOAMAOBBRD4MAP2K1TSHR
SCHEMBL2920382 0.83 MAOA (0.36) MAOAMAOBTSHRGAAMEN1
SCHEMBL2919512 0.79 SLC6A1 (0.31) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2916301 0.78 SLC6A11 (0.47) TSHRSLC6A1GABRA5GABRB2SLC6A12
SCHEMBL8886486 0.77
SCHEMBL2918387 0.77 MAOA (0.33) MAOAMAOBSLC6A1GABRA5GABRB2
SCHEMBL2921232 0.77 SLC6A1 (0.33) KMT2ASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL7736730 0.77 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2915696 0.72
SCHEMBL2919173 0.72 SLC6A1 (0.44) BRD4TSHRGAASLC6A1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MAOA 1802/4885MAOB 1442/4885BRD4 848/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MAOA 1868/4885MAOB 1602/4885BRD4 500/4885

“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.