SCHEMBL4770070

SCHEMBL4770070

COc1cc2nncc(N3CCc4cc(S(=O)(=O)NCCN5CCOCC5)ccc43)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 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
SCHEMBL4772005 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1POLBNPSR1
SCHEMBL4772434 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1
SCHEMBL4779000 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBNPSR1PKM
SCHEMBL4771930 0.83 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL4796030 0.83 LMNA (0.43) SMN1; SMN2POLBPKM
SCHEMBL5247389 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL4772001 0.81 THRB (0.45) ALDH1A1SMN1; SMN2
SCHEMBL4772378 0.80 ROCK1 (0.46) SMN1; SMN2
SCHEMBL4775163 0.78 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4775112 0.77 KMT2A (0.46) ALDH1A1SMN1; SMN2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1802585-A1 4-SUBSTITUTED 4,6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP claimed
US-20060160814-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-20 US claimed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
EP-1802585-A1 4-SUBSTITUTED 4,6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
US-20060160814-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-20 US disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 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 (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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A ALDH1A1 365/4885SMN1; SMN2 4053/4885MAPK1 2134/4885
US-20060160814-A1 Phosphodiesterase 10 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 322/4885SMN1; SMN2 2780/4885MAPK1 1819/4885

“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.