SCHEMBL5886537

SCHEMBL5886537

CCOC(=O)c1nnc(Cl)cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
TLR9 Q9NR96 1/20 0.43
GAA P10253 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GLP1R P43220 1/20 0.43
TARBP2 Q15633 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
RORC P51449 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6197913 0.94 MAPT (0.40) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL4978958 0.84 DPP4 (0.40) MAPTHSD17B10TP53GLP1RKDM4E
SCHEMBL31208530 0.82 RORC (0.41) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL25255910 0.82 RORC (0.41) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL29739916 0.81 GLP1R (0.49) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL4019772 0.81 GLP1R (0.49) MAPTNPSR1ALDH1A1HTTHSD17B10
Etocarlide SCHEMBL6197910 0.81 MAPT (0.53) MAPTNPSR1ALDH1A1HTTNPC1
SCHEMBL23618033 0.80 NR1H2 (0.47) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL25771606 0.80 TSHR (0.47) MAPTNPSR1ALDH1A1HTTHSD17B10
SCHEMBL5888721 0.77 KDM4E (0.39) MAPTALDH1A1HSD17B10MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122546-B2 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION (US) 2006-10-17 US disclosed
EP-1549636-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES Neurogen Corporation (US) 2005-07-06 EP disclosed
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 US disclosed
WO-2004031174-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2004-04-15 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-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives GABRA5, GABRA1, GABRA2 MAPT 986/4885NPSR1 107/4885ALDH1A1 378/4885

“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.