SCHEMBL5090098

SCHEMBL5090098

N#Cc1nccnc1N1CCN([C@H]2C[CH]NC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GRM5 P41594 1/20 0.33
HTR1A P08908 1/20 0.31

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
SCHEMBL5090013 0.81 DPP4 (0.52) MAPTDPP4DPP8DPP7HTR1A
SCHEMBL5093360 0.74 DPP4 (0.52) DPP4DPP8HTR1A
SCHEMBL5089958 0.72 DPP4 (0.52) DPP4DPP8
SCHEMBL6598196 0.71 MAPT (0.51) MAPT
SCHEMBL2077222 0.70 MAPT (0.51) MAPTGRM5
SCHEMBL3453428 0.70 MAPT (0.48) MAPT
SCHEMBL2077223 0.70 MAPT (0.55) MAPT
SCHEMBL3453472 0.70 MAPT (0.44) MAPTDPP4DPP8DPP7GRM5
SCHEMBL10294621 0.70 MAPT (0.51) MAPT
SCHEMBL3452964 0.68 MAPT (0.44) MAPTGRM5

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-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 US disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 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 (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-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN MAPT 3247/4885DPP4 31/4885DPP8 404/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN MAPT 3247/4885DPP4 31/4885DPP8 404/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN MAPT 3247/4885DPP4 31/4885DPP8 404/4885

“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.