SCHEMBL5741261

SCHEMBL5741261

CN1CCc2ccc(F)cc2N(N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ROCK1 Q13464 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
NOTUM Q6P988 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
XIAP P98170 1/20 0.36

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
SCHEMBL10424611 0.88 ROCK1 (0.49) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3
SCHEMBL5741281 0.80 HTR2A (0.50) CHRM2CHRM3NOTUMHTR2CHTR2B
SCHEMBL2625797 0.77 CHRM2 (0.45) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3
SCHEMBL31443460 0.77 CHRM2 (0.45) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3
SCHEMBL1903261 0.76 DRD1 (0.50) ALDH1A1L3MBTL1NOTUMDRD2DRD3
SCHEMBL5739994 0.75 DRD2 (0.53) ALDH1A1CHRM3NOTUMHTR2CHTR2B
SCHEMBL12905295 0.74 CHRM2 (0.43) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3
SCHEMBL13068273 0.73 NOTUM (0.53) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3
SCHEMBL2625799 0.73 MAOA (0.55) ALDH1A1L3MBTL1NOTUMHTR2BDRD2
SCHEMBL10311201 0.72 CHRM2 (0.42) ALDH1A1L3MBTL1ROCK1CHRM2CHRM3

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 ALDH1A1 250/4885L3MBTL1 3830/4885ROCK1 1308/4885

“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.