SCHEMBL3666587

SCHEMBL3666587

O=C(O)N1CC(O)C(NCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.46
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
KDM1A O60341 5/20 0.44
MAOA P21397 3/20 0.44
HSD17B10 Q99714 1/20 0.44
GRIN2B Q13224 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
DRD4 P21917 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6102343 1.00 FUCA1 (0.46) FUCA1GRM2GRM3KDM1AMAOA
SCHEMBL743896 1.00 FUCA1 (0.46) FUCA1GRM2GRM3KDM1AMAOA
SCHEMBL3833535 1.00 FUCA1 (0.46) FUCA1GRM2GRM3KDM1AMAOA
SCHEMBL4484395 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10GRIN2B
SCHEMBL4484399 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10GRIN2B
SCHEMBL9531494 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10DRD4
SCHEMBL7017524 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10DRD4
SCHEMBL9790091 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10DRD4
SCHEMBL4481166 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10DRD4
SCHEMBL4481162 0.87 NPSR1 (0.46) FUCA1KDM1AMAOAHSD17B10DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
EP-2235007-A1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-10-06 EP disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
WO-2009085584-A1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-09 WO disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A FUCA1 3983/4885GRM2 47/4885GRM3 58/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R FUCA1 4658/4885GRM2 41/4885GRM3 128/4885

“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.