SCHEMBL5445015

SCHEMBL5445015

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
KMT2A Q03164 1/20 0.58
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PTGDR2 Q9Y5Y4 8/20 0.48
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR1A P08908 3/20 0.45
DRD2 P14416 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44

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
SCHEMBL5446338 0.94 KMT2A (0.52) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5446453 0.93 NPC1 (0.51) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5456835 0.91 NPC1 (0.49) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5454903 0.91 NPC1 (0.53) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5449946 0.91 NPC1 (0.47) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5446341 0.91 MAPT (0.59) NPC1KMT2AMAPTHTR1AABCB1
SCHEMBL5449891 0.91 GFER (0.47) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5461787 0.91 GFER (0.50) NPC1KMT2ATMEM97SIGMAR1MAPT
SCHEMBL5456816 0.90 HTR7 (0.49) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5455136 0.90 NPC1 (0.49) NPC1KMT2ATMEM97SIGMAR1PTGDR2

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO 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
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 NPC1 1664/4885KMT2A 1271/4885TMEM97 896/4885

“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.