SCHEMBL1831263

SCHEMBL1831263

O=C1[N]CCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HSD11B1 P28845 2/20 0.43
CYP19A1 P11511 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.41
GBA1 P04062 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37

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
SCHEMBL1830233 0.89 DDB1 (0.45) DDB1CRBNHSD11B1CYP19A1NPC1
SCHEMBL1831946 0.81 DDB1 (0.46) DDB1CRBNHSD11B1CYP19A1NPC1
SCHEMBL8103340 0.73 DDB1 (0.43) DDB1CRBNHSD11B1CYP19A1NPC1
SCHEMBL29013938 0.71 DDB1 (0.52) DDB1CRBNHSD11B1CYP19A1NPC1
SCHEMBL8676314 0.71 DDB1 (0.51) DDB1CRBNHSD11B1ALDH1A1MAOB
SCHEMBL29016897 0.71 DDB1 (0.61) DDB1CRBNHSD11B1CYP19A1KMT2A
SCHEMBL8676485 0.71 DDB1 (0.51) DDB1CRBNHSD11B1ALDH1A1MAOB
SCHEMBL19050135 0.71 DDB1 (0.51) DDB1CRBNHSD11B1ALDH1A1MAOB
SCHEMBL7268376 0.70 KMT2A (0.45) DDB1CRBNHSD11B1CYP19A1NPC1
SCHEMBL11790156 0.69 HSD11B1 (0.57) DDB1CRBNHSD11B1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
US-9040526-B2 Benzylpyrrolidinone derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-26 US disclosed
EP-2534158-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-11-22 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
WO-2011100227-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 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 (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-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 DDB1 1558/4885CRBN 780/4885HSD11B1 848/4885
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 DDB1 163/4885CRBN 2397/4885HSD11B1 4082/4885

“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.