SCHEMBL16400321

SCHEMBL16400321

Cc1nnn(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.46
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KDM5C P41229 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16399664 0.80 GPR119 (0.48) ALDH1A1KMT2A
SCHEMBL21889169 0.78
SCHEMBL4959931 0.78 DRD2 (0.62) HSD11B1DRD2DRD4DRD3L3MBTL3
SCHEMBL16400825 0.76 ENPP2 (0.43) ENPP2L3MBTL3L3MBTL1LMNAKMT2A
SCHEMBL4960158 0.74 ENPP2 (0.51) ENPP2RAB9A
SCHEMBL16399950 0.73 KDM5A (0.51) ENPP2DRD2DRD4DRD3KDM5C
SCHEMBL16400430 0.73 ENPP2 (0.44) ENPP2L3MBTL3L3MBTL1RAB9ALMNA
SCHEMBL23242926 0.73 L3MBTL3 (0.34) L3MBTL3L3MBTL1POLB
SCHEMBL2359215 0.72 DRD2 (0.55) HSD11B1DRD2DRD4DRD3L3MBTL3
SCHEMBL15300331 0.72 L3MBTL3 (0.34) ENPP2L3MBTL3L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO 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 (3 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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ENPP2 1/4885HSD11B1 4057/4885DRD2 4724/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ENPP2 1/4885HSD11B1 4057/4885DRD2 4724/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ENPP2 1/4885HSD11B1 4057/4885DRD2 4724/4885

“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.