SCHEMBL16400071

SCHEMBL16400071

Cc1nnnn1C1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 8/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 5/20 0.36
TSHR P16473 1/20 0.36
DRD4 P21917 1/20 0.36
HSD11B1 P28845 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL12435470 0.79 MEN1 (0.40) ENPP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20292178 0.79 CHRM4 (0.39) ENPP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17001650 0.78 ALOX15 (0.45) ENPP2MEN1KMT2AALDH1A1LMNA
SCHEMBL16992432 0.76 HSD11B1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL12436842 0.75 MEN1 (0.38) ENPP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12437201 0.75 JAK2 (0.42) ENPP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL26621162 0.75 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL22113418 0.75 TSHR (0.50) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL16400713 0.73 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL16400781 0.73 ENPP2 (0.43) ENPP2KMT2AL3MBTL1ALDH1A1RAB9A

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 9 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
EP-3102568-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2016-12-14 EP 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-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO 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 1/4885MEN1 1112/4885KMT2A 3346/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ENPP2 1/4885MEN1 1112/4885KMT2A 3346/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ENPP2 1/4885MEN1 1112/4885KMT2A 3346/4885

“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.