SCHEMBL1921277

SCHEMBL1921277

O=C(O)CCn1cnc2ccc(N3CCNCC3)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
ENPP2 Q13822 15/20 0.46
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL296197 0.89 ENPP2 (0.49) HDAC6ENPP2
SCHEMBL30202377 0.89 ENPP2 (0.49) HDAC6ENPP2
Hydrochloric Acid SCHEMBL1921111 0.88 ENPP2 (0.49) HDAC6ENPP2
SCHEMBL3056004 0.85 ENPP2 (0.47) HDAC6ENPP2
SCHEMBL1919522 0.77 ENPP2 (0.44) ENPP2IDO1TDO2IDO2
SCHEMBL18130455 0.73 ENPP2 (0.67) ENPP2
SCHEMBL25067211 0.71 ENPP2 (0.55) ENPP2
SCHEMBL30828230 0.70 ESR2 (0.56) IDO1TDO2IDO2
SCHEMBL1920629 0.70 CYP3A4 (0.45) HTR1AIDO1TDO2IDO2
SCHEMBL27194405 0.70 ESR2 (0.56) IDO1TDO2IDO2

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
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US claimed
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP claimed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US claimed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 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 (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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R HDAC6 2822/4885ENPP2 382/4885HTR1A 296/4885

“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.