SCHEMBL16400400

SCHEMBL16400400

CC1CN(CC(=N)NO)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MGLL Q99685 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28068816 1.00 SIGMAR1 (0.33) SIGMAR1TSHRDRD2DRD3MGLL
SCHEMBL17867679 0.81 SETD7 (0.37) TSHRSMN1; SMN2
SCHEMBL17867678 0.81 SETD7 (0.37) TSHRSMN1; SMN2
SCHEMBL13733481 0.80 HSD17B10 (0.37) SIGMAR1TSHRDRD2DRD3MGLL
SCHEMBL13733486 0.80 HSD17B10 (0.37) SIGMAR1TSHRDRD2DRD3MGLL
SCHEMBL16400765 0.78 GBA2 (0.37) SIGMAR1TSHRDRD2DRD3SMN1; SMN2
SCHEMBL18691907 0.73 HSD11B1 (0.43) SIGMAR1DRD2DRD3SMN1; SMN2
SCHEMBL13662624 0.72 P2RX7 (0.42) DRD2DRD3PTGDR2SMN1; SMN2
SCHEMBL21772146 0.72 MAPK1 (0.50) TSHRDRD2DRD3MGLLPTGDR2
SCHEMBL22117940 0.72 MAPK1 (0.50) TSHRDRD2DRD3MGLLPTGDR2

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 SIGMAR1 4753/4885TSHR 2347/4885DRD2 4724/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI SIGMAR1 4753/4885TSHR 2347/4885DRD2 4724/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI SIGMAR1 4753/4885TSHR 2347/4885DRD2 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.