SCHEMBL2561983

SCHEMBL2561983

OB(O)c1cnc(N2CCC(OC3CCCCC3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35
SIGMAR1 Q99720 2/20 0.33
HCRTR2 O43614 3/20 0.33
ACACB O00763 2/20 0.33
HCRTR1 O43613 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
SCD O00767 2/20 0.30
PIK3CD O00329 1/20 0.30
SLC6A7 Q99884 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL3100567 0.80 OPRK1 (0.39) AOC3CTSLCTSS
SCHEMBL3945544 0.79 POLB (0.42) ACACBMEN1KMT2ACYP2C19USP2
SCHEMBL13098790 0.78 OPRK1 (0.37) AOC3ACACBCTSLCTSSSCD
SCHEMBL18150782 0.78 SMO (0.40) AOC3KDM4ECYP2C19
SCHEMBL3946301 0.77 ALDH1A1 (0.41) ACACBSMN1; SMN2
SCHEMBL18007187 0.77 ALDH1A1 (0.38) HCRTR2ACACBHCRTR1KDM4EUSP2
SCHEMBL23327807 0.74 MAPK8 (0.44) KDM4ECYP2C19
SCHEMBL13273445 0.73 HCRTR2 (0.33) AOC3HCRTR2ACACBHCRTR1KDM4E
SCHEMBL15415151 0.73 KDM4E (0.64) AOC3KDM4ECYP2C19USP2HSD17B10
SCHEMBL25195345 0.72 AOC3 (0.47) AOC3ACACBKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS AOC3 3430/4885SIGMAR1 3189/4885HCRTR2 4028/4885

“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.