SCHEMBL1383929

SCHEMBL1383929

CN1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
APP P05067 1/20 0.50
POLB P06746 3/20 0.47
GPR183 P32249 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SCN7A Q01118 1/20 0.45
KCNH2 Q12809 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GRM5 P41594 1/20 0.44
MAPT P10636 1/20 0.44
FASN P49327 1/20 0.43

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
SCHEMBL1386472 0.91 TSHR (0.47) TSHRAPPPOLBGPR183ALDH1A1
SCHEMBL1385625 0.90 ALDH1A1 (0.47) TSHRHPGDAPPGPR183ALDH1A1
SCHEMBL1383374 0.89 HPGD (0.49) TSHRHPGDAPPPOLBGPR183
SCHEMBL1384986 0.89 GRIN2B (0.47) TSHRGPR183ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1383235 0.88 SIGMAR1 (0.52) TSHRGPR183ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1383574 0.87 TSHR (0.45) TSHRHPGDGPR183ALDH1A1KDM4E
SCHEMBL1382600 0.87 SMN1; SMN2 (0.50) TSHRHPGDAPPGPR183ALDH1A1
SCHEMBL1382493 0.86 GRIN2B (0.43) TSHRAPPPOLBGPR183ALDH1A1
SCHEMBL1384279 0.86 PTK2 (0.50) TSHRHPGDAPPPOLBGPR183
SCHEMBL5096021 0.85 APP (0.48) TSHRHPGDAPPPOLBGPR183

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 TSHR 3086/4885HPGD 314/4885APP 156/4885

“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.