SCHEMBL17069028

SCHEMBL17069028

CC(=O)NNC(=O)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
F2 P00734 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
TNKS O95271 1/20 0.38
USP2 O75604 1/20 0.38
MAPK10 P53779 1/20 0.38
POLB P06746 1/20 0.38
CPA1 P15085 1/20 0.37
CPA2 P48052 1/20 0.37
CPA4 Q9UI42 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 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
SCHEMBL2513454 0.88 KDM4E (0.41) F2KDM4ESMN1; SMN2NPSR1TSHR
SCHEMBL28829435 0.83 KDM4E (0.40) KDM4ESMN1; SMN2NPSR1TSHRUSP2
SCHEMBL16399939 0.83 KDM4E (0.40) KDM4ESMN1; SMN2NPSR1TSHRUSP2
SCHEMBL12258952 0.81 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2NPSR1
SCHEMBL21075247 0.81 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2TNKS
SCHEMBL10136486 0.81 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2NPSR1
SCHEMBL406540 0.81 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2NPSR1
SCHEMBL17069029 0.80 F2 (0.47) P2RX7F2KDM4ESMN1; SMN2NPSR1
SCHEMBL17069031 0.80 NPC1 (0.59) KDM4ESMN1; SMN2NPSR1POLBMEN1
SCHEMBL2757971 0.79 POLB (0.47) P2RX7F2KDM4ESMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR P2RX7 339/4885F2 1154/4885KDM4E 3048/4885

“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.