SCHEMBL712198

SCHEMBL712198

CC(C)(C)COc1cc(C(=O)NCC2C3CNCC32)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.46
CACNA1H O95180 1/20 0.42
F10 P00742 8/20 0.40
IDO1 P14902 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3773452 0.82 TOP2A (0.44) F10IDO1CYP2C9KCNH2CYP3A4
SCHEMBL712171 0.79 EPHX2 (0.53) IDO1CYP3A4EPHX2
SCHEMBL709606 0.78 EPHX2 (0.52) IDO1CYP3A4EPHX2
SCHEMBL712199 0.78 SSTR4 (0.40) SSTR4
SCHEMBL708326 0.77 TAS1R3 (0.50) CACNA1HIDO1CYP2C9KCNH2CYP3A4
SCHEMBL15967240 0.77 KCNH2 (0.47) CACNA1HIDO1CYP2C9KCNH2CYP3A4
Hydrochloric Acid SCHEMBL711109 0.76 TAS1R3 (0.49) CACNA1HIDO1CYP2C9KCNH2CYP3A4
Hydrochloric Acid SCHEMBL709864 0.76 KCNH2 (0.46) CACNA1HIDO1CYP2C9KCNH2CYP3A4
SCHEMBL15967356 0.73 KCNH2 (0.43) CACNA1HF10IDO1CYP2C9KCNH2
SCHEMBL5506769 0.70 HPGD (0.54) KCNH2EPHX2

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 SSTR4 3268/4885CACNA1H 797/4885F10 2112/4885

“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.