SCHEMBL6486809

SCHEMBL6486809

Cc1cccc2nc(N3CCN(C)CC3)oc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
HRH4 Q9H3N8 6/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR3A P46098 6/20 0.45
HTR3E A5X5Y0 5/20 0.45
HTR3B O95264 5/20 0.45
HTR3D Q70Z44 5/20 0.45
HTR3C Q8WXA8 5/20 0.45
ELANE P08246 2/20 0.44
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.42
THPO P40225 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
Hydrochloric Acid SCHEMBL7242997 0.97 KMT2A (0.46) KMT2AHRH4ALDH1A1CYP1A2CYP3A4
SCHEMBL7242998 0.94 KMT2A (0.44) KMT2AHRH4ALDH1A1CYP1A2CYP3A4
SCHEMBL6010776 0.79 NUDT1 (0.49) KMT2AHRH4ALDH1A1HTR3AHTR3E
SCHEMBL6010845 0.77 KDM4E (0.42) KMT2AHRH4HSD17B10HTR3AKDM4E
SCHEMBL2056153 0.76 GAA (0.58) KMT2AHRH4HTR3AHTR6
SCHEMBL6489109 0.74 NUDT1 (0.44) KMT2AHRH4ALDH1A1HSD17B10HTR3A
SCHEMBL6486107 0.74 NUDT1 (0.44) KMT2AHRH4ALDH1A1HSD17B10ELANE
SCHEMBL3918104 0.74 HTR6 (0.76) HTR6
Bromide SCHEMBL6487367 0.73 PIK3CD (0.37) KMT2AELANEHTR6
SCHEMBL602170 0.73 HRH4 (0.49) KMT2AHRH4ALDH1A1KDM4E

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 KMT2A 1185/4885HRH4 54/4885ALDH1A1 1596/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A KMT2A 1305/4885HRH4 55/4885ALDH1A1 1795/4885

“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.