SCHEMBL6489640

SCHEMBL6489640

Cc1ccc2nc(N3CCN(C)CC3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HRH4 Q9H3N8 3/20 0.49
ADRB2 P07550 1/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45

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
SCHEMBL6499067 0.88 FAAH (0.49) NPC1RAB9AHRH4KDM4EALDH1A1
SCHEMBL6488065 0.85
SCHEMBL7305065 0.82 GABRP (0.50) HRH4MAPTTSHRGABRPGABRD
SCHEMBL6488417 0.82 FAAH (0.51) HRH4GABRPGABRDGABRA1GABRB1
SCHEMBL2056153 0.81 GAA (0.58) HRH4MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL6499744 0.80 HTR6 (0.48) NPC1RAB9AHRH4KDM4EALDH1A1
SCHEMBL6488937 0.79 APP (0.50) NPC1RAB9AHRH4MAPTALDH1A1
SCHEMBL6497353 0.76 PTGES (0.54) HRH4
SCHEMBL5021499 0.76 GAA (0.53) MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL3354226 0.76

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 NPC1 4655/4885RAB9A 3297/4885HRH4 54/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A NPC1 4711/4885RAB9A 3113/4885HRH4 55/4885

“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.