SCHEMBL5457350

SCHEMBL5457350

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N(CCOCc3ccccc3)CCOCc3ccccc3)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PTGDR2 Q9Y5Y4 14/20 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
SCHEMBL5456729 0.90 KMT2A (0.48) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5445015 0.87 NPC1 (0.58) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5455131 0.86 NPC1 (0.45) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5456289 0.85 MAPT (0.41) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5446338 0.83 KMT2A (0.52) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5452310 0.83 MAPT (0.45) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5454903 0.82 NPC1 (0.53) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5446453 0.82 NPC1 (0.51) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5458214 0.81 LMNA (0.50) NPC1KMT2ATMEM97SIGMAR1PTGDR2
SCHEMBL5449946 0.81 NPC1 (0.47) 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 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 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.