SCHEMBL712171

SCHEMBL712171

O=C(NCC1C2CNCC21)c1ccc(F)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
PDE4D Q08499 12/20 0.48
PDE4A P27815 9/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
AR P10275 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.44
CYP3A4 P08684 1/20 0.43
IDO1 P14902 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL709606 0.99 EPHX2 (0.52) EPHX2PDE4DPDE4APDE4BPDE4C
SCHEMBL3773452 0.81 TOP2A (0.44) EPHX2SLC5A7CYP3A4IDO1
SCHEMBL712198 0.79 SSTR4 (0.46) EPHX2CYP3A4IDO1
SCHEMBL15967240 0.77 KCNH2 (0.47) CYP3A4IDO1SLC6A9
SCHEMBL712172 0.77 RECQL (0.43) EPHX2PDE4DPDE4APDE4BPDE4C
SCHEMBL709607 0.76 RECQL (0.42) EPHX2PDE4BCYP3A4SLC6A9SLC6A5
Hydrochloric Acid SCHEMBL709864 0.76 KCNH2 (0.46) CYP3A4IDO1SLC6A9
SCHEMBL708326 0.75 TAS1R3 (0.50) EPHX2CYP3A4IDO1SLC6A9SLC6A5
Hydrochloric Acid SCHEMBL711109 0.74 TAS1R3 (0.49) EPHX2CYP3A4IDO1SLC6A9SLC6A5
SCHEMBL1409590 0.74 PDE4D (0.53) EPHX2PDE4DPDE4APDE4BPDE4C

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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 EPHX2 3016/4885PDE4D 3476/4885PDE4A 3863/4885

“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.