SCHEMBL4772974

SCHEMBL4772974

O=C(NC1CC1)c1nsc2cc[c]cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
HTR1A P08908 10/20 0.39
DRD2 P14416 10/20 0.39
HTR2A P28223 10/20 0.39
DRD3 P35462 7/20 0.39
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 1/20 0.36
RIPK1 Q13546 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4769518 0.89 NPC1 (0.39) RAB9ANPC1HTR1ADRD2HTR2A
SCHEMBL7606898 0.75 MEN1 (0.34) RAB9A
SCHEMBL4772813 0.73 NPC1 (0.44) RAB9ANPC1HTR1ADRD2HTR2A
SCHEMBL4792038 0.71 NPC1 (0.61) RAB9ANPC1WNT1DYRK1ASMYD3
SCHEMBL2086888 0.66 ALDH1A1 (0.63) KCNH2
SCHEMBL4774485 0.66 TP53 (0.40) DYRK1A
SCHEMBL2156713 0.66 RAB9A (0.58) RAB9ANPC1SMYD3L3MBTL1
SCHEMBL5377839 0.66 KDM4E (0.31)
SCHEMBL18705837 0.65 HPGD (0.50) RAB9ANPC1L3MBTL1
SCHEMBL16050557 0.65 HPGD (0.55) RAB9ANPC1SMYD3

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-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-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

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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A RAB9A 440/4885NPC1 1992/4885HTR1A 1208/4885

“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.