SCHEMBL5369713

SCHEMBL5369713

O=C(O)N1CCC(Cc2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
GAA P10253 1/20 0.49
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
TBXA2R P21731 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.45
SLC2A1 P11166 1/20 0.43

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
SCHEMBL5216291 0.83 SMN1; SMN2 (0.45) HTTSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL5362096 0.80 TBXA2R (0.56) SMN1; SMN2LMNAALDH1A1TBXA2RMAPT
SCHEMBL1004068 0.79 SPR (0.53) KMT2AMEN1FAAH
SCHEMBL27583206 0.78 HTT (0.44) HTTSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL23122394 0.76 SPR (0.44) KMT2AMEN1GAAMGLLMAPT
SCHEMBL6114819 0.76 HTR1A (0.49) KMT2AMEN1MGLL
SCHEMBL1008518 0.75 GRIN2D (0.59) KMT2AMEN1FAAH
SCHEMBL3354932 0.73 CCR3 (0.59) FAAH
SCHEMBL23365206 0.73 CYP2C9 (0.52) KMT2AMEN1FAAH
SCHEMBL4184907 0.73 ALDH5A1 (0.48) HTTSMN1; SMN2LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C HTT 1328/4885SMN1; SMN2 1940/4885LMNA 1380/4885

“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.