SCHEMBL445041

SCHEMBL445041

O=C(O)C1CN(c2ccccc2)CCN1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
ADRB1 P08588 6/20 0.53
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PTPRA P18433 1/20 0.47
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AGTR2 P50052 1/20 0.43
MAPT P10636 1/20 0.43
DPP4 P27487 1/20 0.41

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
SCHEMBL9593972 0.85 NOTUM (0.44) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL28176768 0.84 ADRB1 (0.49) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL12324599 0.83 ADRB1 (0.51) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL27032901 0.83 ADRB1 (0.51) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL15148004 0.83 ADRB1 (0.51) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL24899325 0.83 NOTUM (0.49) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL20956929 0.83 NOTUM (0.49) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL12127775 0.82 ALDH1A1 (0.43) ADRB1ALDH1A1TSHRHSD17B10MEN1
Hydrochloric Acid SCHEMBL27823517 0.82 ADRB1 (0.50) NOTUMADRB1HTR3EHTR3BHTR3A
SCHEMBL12125914 0.82 NOTUM (0.44) NOTUMADRB1USP2ALDH1A1HSD17B10

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-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
EP-2616808-A2 PROLYL ENDOPEPTIDASE PROBES SRI International (US) 2013-07-24 EP disclosed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 WO disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 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 (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-20120065103-A1 Prolyl Endopeptidase Probes PREP, XPNPEP1, ANPEP NOTUM 1014/4885ADRB1 3872/4885HTR3E 1590/4885

“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.