SCHEMBL3356620

SCHEMBL3356620

CN1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6488937 0.90 APP (0.50) RAB9ANPC1MAPTSMN1; SMN2SIRT6
SCHEMBL25598124 0.87 RAB9A (0.57) RAB9ANPC1MAPTSMN1; SMN2ACHE
SCHEMBL20296299 0.86 CNR2 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2244923 0.86 POLB (0.53) RAB9ANPC1MAPTSMN1; SMN2ACHE
SCHEMBL18344161 0.85 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6499067 0.79 FAAH (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1HRH4
SCHEMBL3754634 0.78 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13054087 0.78 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6487287 0.78 LMNA (0.55) RAB9ANPC1MAPTSMN1; SMN2SIRT6
SCHEMBL31349462 0.77 NPC1 (0.53) RAB9ANPC1MAPTSMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
US-6867226-B2 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. (JP) 2005-03-15 US disclosed
US-6552057-B2 In addition to 5-HT3 receptor antagonism, and inhibiting diarrhea without causing constipation as side effect; benzoxazole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-04-22 US disclosed
EP-0806419-B1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA (JP) 2003-04-02 EP disclosed
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. 2003-01-16 US disclosed
US-6333328-B1 MIXING BENZOXAZOLE DERIVATIVE WITH CARRIER TO FORM ACTIVATOR COMPOUND MEIJI SEIKA KAISHA, LTD. (JP) 2001-12-25 US disclosed
US-6297246-B1 BENZOXAZOLE DERIVATIVES; DOES NOT CAUSE CONSTIPATION AS A SIDE EFFECT. MEIJI SEIKA KAISHA LTD. (JP) 2001-10-02 US disclosed
US-20010016579-A1 Serotonin 5-HT, receptor partial activator LOTUS PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 US disclosed
US-6037342-A BENZOXAZOLE DERIVATIVES HAVING STRONG SEROTONIN 5-HT.SUB.3 RECEPTOR ANTAGONISM; TREATING FUNCTIONAL DISORDERS OF DIGESTIVE ORGANS MEIJI SEIKA KAISHA, LTD (JP) 2000-03-14 US disclosed
EP-0806419-A1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA LTD. (JP) 1997-11-12 EP 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 (2 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-20010016579-A1 Serotonin 5-HT, receptor partial activator HTR7, HTR1A, HTR3A RAB9A 3297/4885NPC1 4655/4885MAPT 4831/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A RAB9A 3113/4885NPC1 4711/4885MAPT 4834/4885

“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.