SCHEMBL711122

SCHEMBL711122

O=C(NCC1CCCCC1)C1C2CN(CCC(F)(F)F)CC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC6 Q9UBN7 5/20 0.39
MLYCD O95822 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC4 P56524 3/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL15967367 0.93 CYP2C19 (0.39) EPHX1FPR3FPR2CTSLCTSB
SCHEMBL5505986 0.85 SIGMAR1 (0.47) FPR3FPR2KMT2A
SCHEMBL711160 0.79 EPHX1 (0.51) EPHX1FPR3FPR2KDM4ECTSL
SCHEMBL711901 0.79 EPHX1 (0.51) EPHX1FPR3FPR2KDM4ECTSL
SCHEMBL708362 0.79 EPHX1 (0.54) EPHX1FPR3FPR2KDM4ECTSL
SCHEMBL711123 0.78 KDM4E (0.34) KDM4EHDAC6MLYCD
SCHEMBL708612 0.75 FPR3 (0.41) EPHX1FPR3FPR2KDM4EGAA
SCHEMBL711457 0.74 FPR3 (0.39) FPR3FPR2KCNH2
SCHEMBL710574 0.73 GNAI3 (0.43) EPHX1FPR3FPR2KDM4EEPHX2
SCHEMBL15967264 0.70

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 4 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
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 EPHX1 2928/4885FPR3 2134/4885FPR2 2708/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 EPHX1 2893/4885FPR3 2137/4885FPR2 2866/4885

“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.