SCHEMBL3363454

SCHEMBL3363454

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A4 P31645 13/20 0.53
SLC6A2 P23975 11/20 0.53
SLC6A3 Q01959 11/20 0.53

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
SCHEMBL13409766 1.00 NPC1 (0.53) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3434103 0.92 NPC1 (0.51) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL6942836 0.90 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL7743128 0.86 NPC1 (0.45) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3362667 0.85 SLC6A4 (0.69) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3362754 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL6951972 0.79 SLC6A2 (0.72) SLC6A4SLC6A2SLC6A3
SCHEMBL3363041 0.78 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6946822 0.78 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL10995616 0.78 SLC6A2 (0.76) NPC1RAB9ASLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
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
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.