SCHEMBL6499744

SCHEMBL6499744

CN1CCN(c2nc3cc4ccccc4cc3o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
HTR3A P46098 4/20 0.48
PRKDC P78527 1/20 0.47
FAAH O00519 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
THPO P40225 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2056153 0.83 GAA (0.58) HTR6HTR3AHRH4LMNASMN1; SMN2
SCHEMBL6499067 0.80 FAAH (0.49) FAAHKDM4EALDH1A1HRH4NPC1
SCHEMBL6489640 0.80 NPC1 (0.50) KDM4EALDH1A1HRH4HRH3NPC1
SCHEMBL6497999 0.78 FAAH (0.55) FAAHHRH4
SCHEMBL7305065 0.78 GABRP (0.50) PRKDCFAAHHRH4LMNA
SCHEMBL6488065 0.78
SCHEMBL5021499 0.78 GAA (0.53) HTR6LMNASMN1; SMN2
SCHEMBL6497353 0.78 PTGES (0.54) HTR3AHRH4
SCHEMBL3354226 0.78
SCHEMBL6496120 0.75 HRH4 (0.43) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0621271-B1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA (JP) 2001-10-17 EP 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
US-5631257-A ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS MEIJI SEIKA KAISHA, LTD. (JP) 1997-05-20 US disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 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 HTR6 16/4885HTR3A 3/4885PRKDC 4343/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A HTR6 16/4885HTR3A 2/4885PRKDC 4289/4885

“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.