SCHEMBL5446338

SCHEMBL5446338

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL5445015 0.94 NPC1 (0.58) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5449946 0.89 NPC1 (0.47) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5449891 0.89 GFER (0.47) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5446341 0.89 MAPT (0.59) KMT2ANPC1ABCB1ABCC1HTR1A
SCHEMBL5461787 0.89 GFER (0.50) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5446453 0.89 NPC1 (0.51) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5465922 0.88 L3MBTL1 (0.48) KMT2ANPC1ABCB1ABCC1PTGDR2
SCHEMBL5455136 0.88 NPC1 (0.49) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5452259 0.88 MAPT (0.46) KMT2ANPC1ABCB1ABCC1TMEM97
SCHEMBL5456290 0.88 MAPT (0.46) KMT2ANPC1ABCB1ABCC1PTGDR2

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 KMT2A 1271/4885NPC1 1664/4885ABCB1 2319/4885

“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.