SCHEMBL5452326

SCHEMBL5452326

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
HTR1A P08908 6/20 0.44
HTR1D P28221 5/20 0.44
HTR1B P28222 5/20 0.44
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MTHFD2 P13995 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 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
SCHEMBL5455064 0.91 DRD2 (0.49) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5457335 0.89 DRD2 (0.51) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5455289 0.88 DRD2 (0.52) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5456990 0.84 ALDH1A1 (0.52) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5459160 0.83 ALDH1A1 (0.59) DRD2HTR1AHTR1DHTR1BALDH1A1
SCHEMBL5465823 0.82 HTR1A (0.48) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL5449579 0.81 HTR1A (0.43) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL20460374 0.81 ALDH1A1 (0.50) DRD2SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL5453590 0.81 WDR5 (0.45) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5448061 0.80 HTR1A (0.48) DRD2HTR1AHTR1DHTR1BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A DRD2 27/4885HTR1A 3/4885HTR1D 2/4885

“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.