SCHEMBL6323822

SCHEMBL6323822

COc1ccc(-c2ccc(N3C=C4CN(C(=O)OC(C)(C)C)CC4C3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GPR119 Q8TDV5 3/20 0.42
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 3/20 0.39
MMP3 P08254 3/20 0.38
MMP7 P09237 3/20 0.38
SRC P12931 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 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
SCHEMBL929815 0.90 GPR119 (0.42) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL927552 0.90 GPR119 (0.42) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL6330682 0.89 GPR119 (0.41) GPR119
SCHEMBL928151 0.89 POLB (0.40) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL927997 0.83 ABL1 (0.39) MEN1KMT2AGPR119SRCNPC1
SCHEMBL6326098 0.83 MEN1 (0.40) MEN1KMT2AGPR119NPC1RAB9A
SCHEMBL928412 0.81 KMT2A (0.39) HTTKDM4EHPGDMEN1KMT2A
SCHEMBL6323818 0.78 HTT (0.48) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL929389 0.77 GPR119 (0.34) ALDH1A1KDM4EHPGDMEN1TSHR
SCHEMBL6324539 0.76 USP30 (0.46) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 HTT 2195/4885ALDH1A1 537/4885KDM4E 2327/4885

“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.