SCHEMBL5089958

SCHEMBL5089958

N#Cc1ccc(N2CCN([C@H]3C[CH]NC3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
HRH3 Q9Y5N1 1/20 0.44
PANK3 Q9H999 7/20 0.44
SMO Q99835 3/20 0.43
PARP1 P09874 4/20 0.42
GPR119 Q8TDV5 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL16627291 0.83 HRH3 (0.61) DPP4DPP8DPP9HRH3PANK3
SCHEMBL5093360 0.82 DPP4 (0.52) DPP4DPP8DPP9HRH3PANK3
SCHEMBL2825721 0.80 HRH3 (0.55) DPP4DPP8DPP9HRH3PANK3
SCHEMBL19748857 0.79 HRH3 (0.54) DPP4DPP8DPP9HRH3PANK3
SCHEMBL14349592 0.77 EGLN2 (0.53) DPP4DPP8DPP9HRH3PANK3
SCHEMBL231983 0.73 KDM4E (0.51) HRH3PANK3SMOGPR119
SCHEMBL30390836 0.73 KDM4E (0.51) HRH3PANK3SMOGPR119
SCHEMBL29514660 0.73 KDM4E (0.54) PANK3SMOGPR119
SCHEMBL14844043 0.73 SMO (0.56) PANK3SMOGPR119
SCHEMBL3048925 0.73 KDM4E (0.54) PANK3SMOGPR119

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-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
US-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 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
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 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 (4 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-20050256310-A1 Therapeutic compounds REN, SLC5A1, SLC5A2 DPP4 26/4885DPP8 413/4885DPP9 154/4885
US-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP9 182/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP9 182/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP9 182/4885

“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.