SCHEMBL6489109

SCHEMBL6489109

Cc1cc(C)c2oc(N3CCCN(C)CC3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ATM Q13315 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
S100A4 P26447 1/20 0.36
RAD52 P43351 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6486107 0.97 NUDT1 (0.44) NUDT1KDM4EHSD17B10PKMFAAH
SCHEMBL6010776 0.94 NUDT1 (0.49) NUDT1KDM4EFAAHALDH1A1HPGD
SCHEMBL2743725 0.87 KDM4E (0.50) KDM4EHSD17B10PKMALDH1A1HPGD
SCHEMBL6010845 0.81 KDM4E (0.42) KDM4EHSD17B10PKMHTR3AHRH4
SCHEMBL6488417 0.80 FAAH (0.51) FAAHHTR3EHTR3BHTR3AHTR3D
SCHEMBL6488221 0.79 NUDT1 (0.42) NUDT1KDM4EHSD17B10FAAHALDH1A1
SCHEMBL6010869 0.79 NUDT1 (0.47) NUDT1NPC1RAB9A
SCHEMBL6487554 0.76 PTGES (0.51) KDM4EHSD17B10PKMFAAHHRH4
SCHEMBL7985023 0.75 HRH4 (0.39) KDM4EHSD17B10PKMALDH1A1TSHR
SCHEMBL6490944 0.74 HRH4 (0.43) KDM4EHSD17B10PKMALDH1A1HTR3A

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 NUDT1 2133/4885KDM4E 1908/4885HSD17B10 3471/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A NUDT1 2235/4885KDM4E 2012/4885HSD17B10 3473/4885

“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.