SCHEMBL3773452

SCHEMBL3773452

CC(C)Oc1cc(C(=O)NCC2C3CNCC32)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.44
IRAK4 Q9NWZ3 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2L1 Q07817 2/20 0.39
SLC5A7 Q9GZV3 1/20 0.38
KCNH2 Q12809 2/20 0.38
IDO1 P14902 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CYP3A4 P08684 1/20 0.38
F10 P00742 2/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL712198 0.82 SSTR4 (0.46) KCNH2IDO1CYP2C9CYP3A4F10
SCHEMBL712171 0.81 EPHX2 (0.53) SLC5A7IDO1CYP3A4EPHX2
SCHEMBL709606 0.80 EPHX2 (0.52) SLC5A7IDO1CYP3A4EPHX2
SCHEMBL15967240 0.78 KCNH2 (0.47) KCNH2IDO1CYP2C9KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL709864 0.77 KCNH2 (0.46) KCNH2IDO1CYP2C9KCNQ3KCNQ2
SCHEMBL3773454 0.77 MEN1 (0.35) IRAK4MEN1KMT2AKCNH2ROCK2
SCHEMBL708326 0.76 TAS1R3 (0.50) KCNH2IDO1CYP2C9KCNQ3KCNQ2
SCHEMBL15967341 0.76 BCL2L1 (0.39) IRAK4BCL2L1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL711109 0.75 TAS1R3 (0.49) KCNH2IDO1CYP2C9KCNQ3KCNQ2
SCHEMBL15967356 0.72 KCNH2 (0.43) KCNH2IDO1ROCK2ROCK1CYP2C9

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 5 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-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 TOP2A 3546/4885IRAK4 4672/4885MEN1 3132/4885

“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.