SCHEMBL1636550

SCHEMBL1636550

CCCN(CCC)CCc1ccc(/C=C/c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.52
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
CASP3 P42574 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 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
SCHEMBL1636553 1.00 DRD3 (0.52) DRD3ADRA1DADRA1AADRA1BHDAC1
SCHEMBL1637310 0.89 DRD3 (0.54) DRD3HDAC1HDAC7CASP3KDM4E
SCHEMBL1637312 0.89 DRD3 (0.54) DRD3HDAC1HDAC7CASP3KDM4E
SCHEMBL1638655 0.89 DRD3 (0.54) DRD3HDAC1HDAC7CASP3KDM4E
SCHEMBL17260672 0.78 CASP3 (0.59) ADRA1DADRA1AADRA1BHDAC1HDAC7
SCHEMBL1638312 0.77 CASP3 (0.54) ADRA1DADRA1AADRA1BHDAC1HDAC7
SCHEMBL1638310 0.77 CASP3 (0.54) ADRA1DADRA1AADRA1BHDAC1HDAC7
SCHEMBL10927617 0.75 NR1H3 (0.58) ADRA1DADRA1AADRA1BHDAC1HDAC7
SCHEMBL10927612 0.75 NR1H3 (0.58) ADRA1DADRA1AADRA1BHDAC1HDAC7
SCHEMBL1206411 0.74 BCHE (0.52) DRD3CASP3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 DRD3 283/4885ADRA1D 186/4885ADRA1A 197/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 DRD3 435/4885ADRA1D 142/4885ADRA1A 92/4885

“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.