SCHEMBL5739939

SCHEMBL5739939

c1ccc2c(c1)CCNCCN2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
PNMT P11086 2/20 0.50
CD44 P16070 1/20 0.50
MAOB P27338 1/20 0.50
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 3/20 0.42
DRD1 P21728 2/20 0.42
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
DRD4 P21917 2/20 0.39
PDPK1 O15530 1/20 0.39

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
Indoline SCHEMBL27677476 0.93 HTR2C (0.58) HTR2CPNMTCD44MAOBALOX15
SCHEMBL23555059 0.88 HTR2C (0.58) HTR2CPNMTCD44MAOBALOX15
Naphthalene SCHEMBL28125430 0.88 HTR2C (0.52) HTR2CPNMTCD44MAOBALOX15
SCHEMBL8896060 0.88 HTR2C (0.46) HTR2CPNMTCD44MAOBALOX15
Indoline SCHEMBL5629 0.86
Indoline SCHEMBL29360339 0.86
Indoline SCHEMBL28244360 0.86 HTR2C (0.50) HTR2CPNMTCD44MAOBALOX15
Indoline SCHEMBL29002623 0.85 HTR2C (0.54) HTR2CPNMTCD44MAOBALOX15
Piperazine SCHEMBL28330011 0.85 HTR2C (0.48) HTR2CPNMTCD44MAOBALOX15
Indoline SCHEMBL8194348 0.84 HTR2C (0.50) HTR2CPNMTCD44MAOBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497296-B1 [1,4]DIAZOCINO[7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2006-03-22 EP disclosed
US-7012089-B2 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-03-14 US disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US 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-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D HTR2C 2/4885PNMT 387/4885CD44 4775/4885

“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.