SCHEMBL5449739

SCHEMBL5449739

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGDR2 Q9Y5Y4 10/20 0.45
▸ CACNA2D1 P54289 3/20 0.42
▸ CACNA1B Q00975 3/20 0.42
▸ CACNB1 Q02641 3/20 0.42
▸ CACNA1C Q13936 3/20 0.42
▸ CACNA1G O43497 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5465878 0.87 MAPT (0.45) NPC1KMT2APTGDR2
SCHEMBL5446440 0.86 HTR6 (0.43) NPC1KMT2APTGDR2
SCHEMBL5445015 0.81 NPC1 (0.58) NPC1KMT2APTGDR2
SCHEMBL5446456 0.81 NPC1 (0.46) NPC1KMT2APTGDR2
SCHEMBL5446330 0.81 TMEM97 (0.49) NPC1KMT2APTGDR2
SCHEMBL5446338 0.80 KMT2A (0.52) NPC1KMT2APTGDR2
SCHEMBL5454941 0.80 NPC1 (0.47) NPC1KMT2APTGDR2
SCHEMBL5464263 0.79 HDAC1 (0.47) NPC1KMT2APTGDR2
SCHEMBL5452259 0.78 MAPT (0.46) NPC1KMT2APTGDR2
SCHEMBL5456290 0.78 MAPT (0.46) NPC1KMT2APTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1271/4885PTGDR2 254/4885

“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.

Send feedback