SCHEMBL4136295

SCHEMBL4136295

O=C(O)N(CC#Cc1cnccn1)C1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TSHR P16473 1/20 0.31
P2RY14 Q15391 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 2/20 0.30
GRM5 P41594 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
SCHEMBL10313876 0.85 GPR119 (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL10314189 0.64 MAPKAPK2 (0.38) MAPKAPK2SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL21410210 0.63 DCUN1D1 (0.57) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5240290 0.61 GRM5 (0.41) HAO1TSHRGRM5
SCHEMBL3811903 0.61 DCUN1D1 (0.58) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL31286309 0.61 GRM5 (0.59) HAO1TSHRGRM5
SCHEMBL15870932 0.61 GRM5 (0.59) HAO1TSHRGRM5
SCHEMBL1290745 0.61 SLC6A4 (0.42) DCUN1D1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL28148504 0.61 GRM5 (0.47) HAO1GRM5
SCHEMBL526963 0.60 AGER (0.46) MAPKAPK2DCUN1D1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 HAO1 1505/4885HRH3 253/4885GSK3B 4664/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 HAO1 1306/4885HRH3 337/4885GSK3B 4641/4885

“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.