SCHEMBL3056006

SCHEMBL3056006

COCc1nc(C2CCN(c3nncc4c(OC)c(OC)c(OC)cc34)CC2)no1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 15/20 0.39
HTR1A P08908 1/20 0.36
TSPO P30536 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR3A P46098 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAP4K4 O95819 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NEK2 P51955 1/20 0.34

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
SCHEMBL3052324 0.92 NTSR1 (0.36) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3061996 0.88 PDE10A (0.43) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3049951 0.86 NTSR1 (0.39) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3042342 0.83 NTSR1 (0.35) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3055190 0.79 NTSR1 (0.41) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3060162 0.79 PDE10A (0.44) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3049677 0.79 HTT (0.38) NTSR1MAP4K4ALDH1A1NEK2
SCHEMBL3057287 0.79 HTT (0.39) NTSR1ALDH1A1NEK2
SCHEMBL3047040 0.77 PDE10A (0.39) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3059655 0.76 MAP4K4 (0.41) MAP4K4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PDE12, PDE5A, PDE2A NTSR1 2789/4885HTR1A 547/4885TSPO 2358/4885

“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.