SCHEMBL1384986

SCHEMBL1384986

CCN1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
GPR183 P32249 4/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
FASN P49327 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL1383929 0.89 TSHR (0.51) GPR183TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1386472 0.89 TSHR (0.47) GRIN2BGPR183TSHRALDH1A1SMN1; SMN2
SCHEMBL1382493 0.88 GRIN2B (0.43) GRIN2BGPR183TSHRALDH1A1SMN1; SMN2
SCHEMBL1385625 0.87 ALDH1A1 (0.47) GRIN2BGPR183TSHRALDH1A1SMN1; SMN2
SCHEMBL1383374 0.86 HPGD (0.49) GRIN2BGPR183TSHRALDH1A1SMN1; SMN2
SCHEMBL1383235 0.85 SIGMAR1 (0.52) GPR183TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1382600 0.84 SMN1; SMN2 (0.50) GPR183TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1383574 0.84 TSHR (0.45) GRIN2BGPR183TSHRALDH1A1SMN1; SMN2
SCHEMBL1384989 0.83 PFKFB3 (0.59) ALDH1A1SMN1; SMN2KDM4EHRH4MEN1
SCHEMBL1383236 0.82 HPGD (0.48) GPR183TSHRHRH3GAA

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
JP-4790704-B2 2011-10-12 JP claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP claimed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 GRIN2B 2938/4885GPR183 2865/4885TSHR 3086/4885

“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.