SCHEMBL7743128

SCHEMBL7743128

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SLC6A4 P31645 13/20 0.42
SLC6A2 P23975 12/20 0.42
SLC6A3 Q01959 12/20 0.42
QSOX1 O00391 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 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
SCHEMBL3434103 0.89 NPC1 (0.51) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL13409766 0.86 NPC1 (0.53) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3363454 0.86 NPC1 (0.53) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3363477 0.84 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246770 0.84 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246771 0.84 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246514 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL6246517 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL6246512 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL6247845 0.82 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3QSOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A NPC1 2020/4885RAB9A 4036/4885SLC6A4 34/4885

“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.