SCHEMBL16285441

SCHEMBL16285441

CC(=O)NCCCC[C@H](N)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 3/20 0.52
DPP7 Q9UHL4 2/20 0.49
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
ADRA1A P35348 1/20 0.46
FOLH1 Q04609 1/20 0.44
SIRT5 Q9NXA8 2/20 0.44
RRM1 P23921 1/20 0.41
NOS2 P35228 4/20 0.40
NOS1 P29475 3/20 0.40
NOS3 P29474 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL19704052 0.86 KDM4E (0.58) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL26646766 0.86 KDM4E (0.58) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL6060265 0.85 DPP7 (0.46) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL919222 0.85 KDM4E (0.56) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL236178 0.85 KDM4E (0.56) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL180969 0.85 KDM4E (0.56) KDM4EMAPK1HIF1APAOXDPP7
Hydrochloric Acid SCHEMBL15669798 0.83 KDM4E (0.54) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL30125060 0.83 KDM4E (0.59) KDM4EMAPK1HIF1APAOXDPP7
Hydrochloric Acid SCHEMBL28854969 0.83 KDM4E (0.54) KDM4EMAPK1HIF1APAOXDPP7
SCHEMBL20168409 0.82 DPP7 (0.46) DPP7GNAI3GNAO1GNAI1RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392440-A2 COMBINATION OF RELAXIN AND VASOPRESSIN ANALOGUES FOR TREATMENT OF RENAL DISORDERS OR CONDITIONS River 2 Renal Corp. (US) 2024-07-03 EP disclosed
WO-2023028008-A2 COMBINATION OF RELAXIN AND VASOPRESSIN ANALOGUES FOR TREATMENT OF RENAL DISORDERS OR CONDITIONS RIVER 2 RENAL CORP. (US) 2023-03-02 WO disclosed
US-9376461-B2 Non-enzymatic synthesis of O-acetyl-ADP-ribose and analogues thereof GLAXOSMITHKLINE LLC (US) 2016-06-28 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20150218202-A1 NON-ENZYMATIC SYNTHESIS OF O-ACETYL-ADP-RIBOSE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC 2015-08-06 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A KDM4E 1186/4885MAPK1 1519/4885HIF1A 1818/4885
US-20150218202-A1 NON-ENZYMATIC SYNTHESIS OF O-ACETYL-ADP-RIBOSE AND ANALOGUES THEREOF SARM1, NADK, CD38 KDM4E 2119/4885MAPK1 3007/4885HIF1A 3382/4885

“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.