SCHEMBL710408

SCHEMBL710408

Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(C(=O)OC(C)(C)C)CC32)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.81
KCNH2 Q12809 12/20 0.81
SLC6A5 Q9Y345 7/20 0.58
CYP2D6 P10635 6/20 0.58
CYP3A4 P08684 2/20 0.55
SLC2A1 P11166 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
SCHEMBL710958 0.89 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL717157 0.89 SLC6A9 (0.63) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6104480 0.87 SLC6A9 (0.85) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6103428 0.87 SLC6A9 (0.85) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL710257 0.87 SLC6A9 (0.76) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6103380 0.87 SLC6A9 (0.88) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6104575 0.87 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6103378 0.87 SLC6A9 (0.84) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6102957 0.86 SLC6A9 (0.98) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL6104210 0.86 SLC6A9 (0.84) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4

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
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
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP disclosed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO 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 SLC6A9 9/4885KCNH2 694/4885SLC6A5 3/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 SLC6A9 11/4885KCNH2 733/4885SLC6A5 6/4885

“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.