SCHEMBL708326

SCHEMBL708326

O=C(NCC1C2CNCC21)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
P2RX7 Q99572 1/20 0.41
KCNH2 Q12809 3/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
HTR2A P28223 1/20 0.41
ABAT P80404 1/20 0.41
ENPP2 Q13822 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP3A4 P08684 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
Hydrochloric Acid SCHEMBL711109 0.99 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL3770718 0.88 KCNH2 (0.45) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL3773845 0.82 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL15967240 0.82 KCNH2 (0.47) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL709864 0.81 KCNH2 (0.46) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL5510200 0.81 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL5506740 0.79 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KCNH2CYP2C9
SCHEMBL5513102 0.79 POLB (0.56) TAS1R3TAS1R1TAS1R2
SCHEMBL612663 0.78 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL5512193 0.78 NPC1 (0.40) P2RX7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 US disclosed
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. 2006-10-12 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 (2 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 TAS1R3 940/4885TAS1R1 560/4885TAS1R2 950/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 TAS1R3 888/4885TAS1R1 570/4885TAS1R2 949/4885

“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.