SCHEMBL5095133

SCHEMBL5095133

Clc1ccc2oc(N3CCN([C@H]4CCNC4)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 14/20 0.50
PTGS2 P35354 2/20 0.50
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5089961 0.91 SOS1 (0.45) PTGESPTGS2HRH3
SCHEMBL3101725 0.80 HTR3E (0.55) PTGESPTGS2
SCHEMBL3082150 0.76 PTGES (0.53) PTGESPTGS2
SCHEMBL29551098 0.75 PTGES (0.61) PTGESPTGS2
SCHEMBL24462181 0.75 PTGES (0.61) PTGESPTGS2
SCHEMBL29435909 0.75 PTGES (0.56) PTGESPTGS2
SCHEMBL13838771 0.75 PTGES (0.56) PTGESPTGS2
SCHEMBL17830179 0.75 PTGES (0.56) PTGESPTGS2
SCHEMBL13735326 0.75 PTGES (0.56) PTGESPTGS2
SCHEMBL13735931 0.75 PTGES (0.56) PTGESPTGS2

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 PTGES 981/4885PTGS2 292/4885GABRP 3902/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN PTGES 981/4885PTGS2 292/4885GABRP 3902/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN PTGES 981/4885PTGS2 292/4885GABRP 3902/4885

“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.