SCHEMBL6501249

SCHEMBL6501249

Cc1ccc2oc(N3CCNCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL3081079 0.94 HTR6 (0.49) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL17010783 0.84 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27435525 0.84 HTR6 (0.52) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL3101725 0.84 HTR3E (0.55) HTR6
SCHEMBL28473715 0.83 FAAH (0.60) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6499067 0.83 FAAH (0.49) KDM4ENPC1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27077852 0.82 HTR6 (0.51) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL2709110 0.81 PTGES (0.52) HTR6GPR119TP53
SCHEMBL15727622 0.80 HTR6 (0.53) HTR6ALDH1A1ADRB1
SCHEMBL195554 0.80 HTR6 (0.53) HTR6KDM4ESMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021030620-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
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 (3 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 16/4885GABRP 197/4885GABRD 249/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A HTR6 16/4885GABRP 206/4885GABRD 270/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 HTR6 1897/4885GABRP 1705/4885GABRD 1969/4885

“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.