SCHEMBL6310466

SCHEMBL6310466

N#Cc1ccccc1Oc1ccc(C(=O)NC2CN3CC[C@H]2C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.56
EZH2 Q15910 1/20 0.55
CYP3A4 P08684 1/20 0.53
CHRNA7 P36544 3/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
USP30 Q70CQ3 2/20 0.47
KCNH2 Q12809 1/20 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
SCHEMBL6885039 0.95 EZH2 (0.56) MAPK14EZH2CYP3A4CHRNA7HTR3E
SCHEMBL6305907 0.84 EZH2 (0.53) EZH2CHRNA7HTR3EHTR3BALOX15
SCHEMBL6310496 0.84 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6311957 0.84 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303204 0.84 CHRNA7 (0.57) MAPK14EZH2CHRNA7HTR3EHTR3B
SCHEMBL6303220 0.84 CHRNA7 (0.53) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310081 0.84 EZH2 (0.53) MAPK14EZH2CYP3A4USP30KCNH2
SCHEMBL6306473 0.84 CHRNA7 (0.61) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303113 0.83 EZH2 (0.59) MAPK14EZH2CYP3A4CHRNA7USP30
SCHEMBL6303114 0.83 EZH2 (0.59) MAPK14EZH2CYP3A4CHRNA7USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 (1 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 MAPK14 2726/4885EZH2 4701/4885CYP3A4 157/4885

“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.