SCHEMBL6303576

SCHEMBL6303576

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.67
EZH2 Q15910 1/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MGLL Q99685 1/20 0.38
FYN P06241 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CNR2 P34972 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL6303571 1.00 CHRNA7 (0.67) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6303147 0.94 CHRNA7 (0.58) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6311905 0.90 CHRNA7 (0.67) CHRNA7EZH2DRD2DRD4CTSB
SCHEMBL6311908 0.90 CHRNA7 (0.67) CHRNA7EZH2DRD2DRD4CTSB
SCHEMBL6311212 0.90 CHRNA7 (0.67) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6311218 0.90 CHRNA7 (0.67) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6305940 0.89 CHRNA7 (0.86) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6305939 0.89 CHRNA7 (0.86) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6306329 0.89 CHRNA7 (0.66) CHRNA7EZH2HTR3EHTR3BALOX15
SCHEMBL6303154 0.89 CHRNA7 (0.66) CHRNA7EZH2HTR3EHTR3BALOX15

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 4 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
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 CHRNA7 2937/4885EZH2 4701/4885HTR3E 1662/4885

“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.