SCHEMBL15057356

SCHEMBL15057356

O=C(O)c1nc(C2CC2)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
PDE10A Q9Y233 4/20 0.40
FOLH1 Q04609 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ATR Q13535 1/20 0.39
PIN1 Q13526 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Hydrochloric Acid SCHEMBL17180508 0.86 ADORA2B (0.44) POLBPDE10AADORA3ADORA2AADORA1
SCHEMBL15059389 0.84 SLC6A3 (0.45) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL15057161 0.76 POLB (0.49) POLBALDH1A1MAPTKMT2ANPSR1
SCHEMBL17949442 0.75 POLB (0.41) POLBALDH1A1MAPTKMT2AKDM4E
SCHEMBL5199731 0.75 POLB (0.41) POLBALDH1A1MAPTKMT2AKDM4E
SCHEMBL24680127 0.75 POLB (0.41) POLBALDH1A1MAPTKMT2AKDM4E
SCHEMBL20972176 0.75 POLB (0.41) POLBALDH1A1MAPTPDE10ASMN1; SMN2
SCHEMBL4897646 0.75 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2ATR
SCHEMBL610009 0.73 PIN1 (0.49) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL24908590 0.72 POLB (0.39) POLBALDH1A1MAPTMEN1KMT2A

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
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 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-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R POLB 4618/4885ALDH1A1 1588/4885HPGD 2373/4885

“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.