SCHEMBL7656762

SCHEMBL7656762

CC(=O)OCC(=O)NC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ATM Q13315 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.40
RAB9A P51151 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
SCHEMBL28291327 0.83 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL15447812 0.82 NPSR1 (0.68) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL13450032 0.81 SMN1; SMN2 (0.49) EPHX1NPSR1POLBKMT2AMEN1
SCHEMBL14492245 0.81 SMN1; SMN2 (0.49) EPHX1NPSR1POLBKMT2AMEN1
SCHEMBL4070701 0.80 EPHX1 (0.55) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL28291418 0.80 GNAI3 (0.44) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL21882064 0.79 EPHX1 (0.53) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL27224567 0.78 EPHX1 (0.57) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL19764243 0.78 GNAI3 (0.49) EPHX1GNAI3GNAO1GNAI1NPSR1
SCHEMBL18872267 0.77 GNAI3 (0.48) EPHX1GNAI3GNAO1GNAI1NPSR1

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-3022194-B1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-9573957-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-21 US disclosed
US-9573957-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-21 US disclosed
WO-2015009611-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
WO-2013044360-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-04-04 WO disclosed
US-6469172-B2 2-AMINO-6-((4-AMINOPIPERIDIN-1-YL)METHYL)PYRIDINE; CHEMICAL INTERMEDIATE FOR MUSCARINIC M3 RECEPTOR ANTAGONISTS; ACYLATION OF 2-AMINO-6-BROMOPYRIDINE WITH TRIMETHYLACETIC ACID MERCK & CO., INC. 2002-10-22 US disclosed
US-20010051727-A1 Process for the preparation of chemical compounds MERCK& CO., INC. 2001-12-13 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-20010051727-A1 Process for the preparation of chemical compounds CHRM3, CHRM5, CHRM2 EPHX1 3994/4885GNAI3 1488/4885GNAO1 1019/4885

“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.