SCHEMBL6408019

SCHEMBL6408019

O=c1oc2ccc([N+](=O)[O-])cc2n1CCN1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.66
▸ IDO1 P14902 2/20 0.57
▸ CDYL2 Q8N8U2 1/20 0.56
▸ CDYL Q9Y232 1/20 0.56
▸ CDY1; CDY1B Q9Y6F8 1/20 0.56
▸ NOS3 P29474 1/20 0.51
▸ NOS1 P29475 1/20 0.51
▸ NOS2 P35228 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR7 P34969 1/20 0.45

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
SCHEMBL21616836 0.83 TMEM97 (0.58) TMEM97SIGMAR1
SCHEMBL6408326 0.80 TMEM97 (0.72) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL2061822 0.79 IDO1 (0.64) TMEM97IDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL8561633 0.78 IDO1 (0.59) IDO1CDYL2CDYLCDY1; CDY1BNOS3
SCHEMBL12124425 0.76 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL10507200 0.76 IDO1 (0.63) IDO1CDYL2CDYLCDY1; CDY1BALDH1A1
SCHEMBL5423077 0.74 IDO1 (0.62) IDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL12124424 0.74 SIGMAR1 (0.83) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL11135151 0.74 KMO (0.56) IDO1CDYL2CDYLCDY1; CDY1BALDH1A1
SCHEMBL18171790 0.73 IDO1 (0.79) IDO1MEN1KMT2A

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
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 — — EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 — — 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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A TMEM97 244/4885IDO1 785/4885CDYL2 401/4885

“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.

Send feedback