SCHEMBL5450082

SCHEMBL5450082

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1cccc(N3CCOCC3)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
HTR1A P08908 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
GFER P55789 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
AKT1 P31749 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NAMPT P43490 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
RAB9A P51151 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
SCHEMBL5456699 0.90 HTT (0.47) HTTSMN1; SMN2KMT2ANPC1HTR1A
SCHEMBL5461787 0.86 GFER (0.50) HTTSMN1; SMN2KMT2ANPC1HTR1A
SCHEMBL5461756 0.85 NPC1 (0.48) KMT2ANPC1HTR1AHTR1DHTR1B
SCHEMBL5445015 0.85 NPC1 (0.58) KMT2ANPC1HTR1AHTR1DHTR1B
SCHEMBL5444094 0.84 GFER (0.53) HTTSMN1; SMN2KMT2ANPC1GFER
SCHEMBL5454985 0.82 GFER (0.47) KMT2ANPC1HTR1AHTR1DHTR1B
SCHEMBL5456816 0.81 HTR7 (0.49) SMN1; SMN2KMT2ANPC1TMEM97SIGMAR1
SCHEMBL5458733 0.80 GFER (0.45) KMT2ANPC1HTR1AHTR1DHTR1B
SCHEMBL5445161 0.80 GFER (0.45) KMT2ANPC1HTR1AHTR1DHTR1B
SCHEMBL5458944 0.80 GFER (0.45) SMN1; SMN2KMT2ANPC1HTR1AHTR1D

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
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTT 322/4885SMN1; SMN2 773/4885KMT2A 1271/4885

“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.