SCHEMBL5456816

SCHEMBL5456816

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N3CCN(Cc4ccccc4)CC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
AURKA O14965 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL5461787 0.91 GFER (0.50) NPC1KMT2AMAPTAURKASMN1; SMN2
SCHEMBL5445015 0.90 NPC1 (0.58) NPC1KMT2AKDM4EALOX15MAPT
SCHEMBL5458944 0.89 GFER (0.45) NPC1KMT2AMAPTAURKASMN1; SMN2
SCHEMBL5449710 0.89 HRH3 (0.44) HTR7NPC1KMT2AKDM4EMAPT
SCHEMBL5454985 0.88 GFER (0.47) NPC1KMT2AMAPTNAMPTPTGDR2
SCHEMBL5456699 0.87 HTT (0.47) NPC1KMT2AMAPTSMN1; SMN2NAMPT
SCHEMBL5446338 0.87 KMT2A (0.52) NPC1KMT2AMAPTTMEM97SIGMAR1
SCHEMBL5445161 0.85 GFER (0.45) NPC1KMT2AKDM4EMAPTAURKA
SCHEMBL5446453 0.85 NPC1 (0.51) NPC1KMT2AMAPTALDH1A1TMEM97
SCHEMBL5458733 0.85 GFER (0.45) NPC1KMT2AMAPTAURKANAMPT

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 HTR7 18/4885NPC1 1664/4885KMT2A 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.