SCHEMBL3714838

SCHEMBL3714838

N#Cc1ccsc1N1CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.33
LMNA P02545 2/20 0.32
LRRK2 Q5S007 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
DPP4 P27487 1/20 0.31
CCR9 P51686 1/20 0.31
RAB9A P51151 1/20 0.30
IDH1 O75874 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
SCHEMBL9508372 0.78 KDM4E (0.46) MAPTKMT2APOLBALDH1A1GAA
SCHEMBL4406241 0.73 RECQL (0.31) MAPTKMT2AMEN1ALDH1A1RECQL
SCHEMBL4406238 0.72 GRM5 (0.38)
SCHEMBL12835678 0.71 DPP4 (0.41) POLBALDH1A1RECQLDPP4
SCHEMBL7716739 0.70 DRD4 (0.47) MAPTPOLBALDH1A1
SCHEMBL3774632 0.70 HRH4 (0.33) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL3709452 0.70 HRH4 (0.33) MAPTKMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL1514410 0.70 DPP4 (0.40) ALDH1A1RECQLDPP4
Hydrochloric Acid SCHEMBL1514647 0.70 DPP4 (0.40) ALDH1A1RECQLDPP4
SCHEMBL16690703 0.68 AR (0.43) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP disclosed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed
WO-2010089119-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-08-12 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 (1 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 MAPT 3074/4885KMT2A 2670/4885MEN1 771/4885

“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.