SCHEMBL5455136

SCHEMBL5455136

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 5/20 0.48
KMT2A Q03164 2/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
HPGD P15428 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL5449891 0.91 GFER (0.47) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5446341 0.91 MAPT (0.59) NPC1RAB9AMAPTKMT2AABCB1
SCHEMBL5461787 0.91 GFER (0.50) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5456290 0.90 MAPT (0.46) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5465922 0.90 L3MBTL1 (0.48) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5452259 0.90 MAPT (0.46) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5445015 0.90 NPC1 (0.58) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5449946 0.89 NPC1 (0.47) NPC1MAPTKMT2AABCB1ABCC1
Ammonia Solution, Strong SCHEMBL5452545 0.89 MAPT (0.46) NPC1MAPTKMT2AABCB1ABCC1
SCHEMBL5444094 0.89 GFER (0.53) NPC1MAPTKMT2AABCB1ABCC1

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 1664/4885RAB9A 838/4885MAPT 577/4885

“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.