SCHEMBL6490944

SCHEMBL6490944

CCc1cc(Cl)cc2nc(N3CCCN(C)CC3)oc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR3A P46098 2/20 0.38
PTGES O14684 1/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
MET P08581 1/20 0.36
HRH1 P35367 1/20 0.35
PIK3CD O00329 1/20 0.35
PRKDC P78527 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7985023 0.86 HRH4 (0.39) HRH4KDM4EPKMHSD17B10HTR1A
SCHEMBL2743725 0.85 KDM4E (0.50) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL6010864 0.82 CHRNB2 (0.43) HRH4HTR3AHTR1ADRD2DRD4
SCHEMBL6489767 0.80 HRH4 (0.42) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL6010845 0.79 KDM4E (0.42) HRH4KDM4EPKMHSD17B10HTR3A
Hydrochloric Acid SCHEMBL7244790 0.78 HRH4 (0.42) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL7244793 0.77 HRH4 (0.40) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL6488071 0.76 PTGES (0.57) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL6489109 0.74 NUDT1 (0.44) HRH4KDM4EPKMHSD17B10HTR3A
SCHEMBL5021460 0.72 PTGES (0.37) KDM4EPKMHSD17B10PTGESPIK3CD

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 9 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
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 HRH4 54/4885KDM4E 1908/4885PKM 2998/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A HRH4 55/4885KDM4E 2012/4885PKM 2994/4885

“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.