SCHEMBL3365835

SCHEMBL3365835

CN(C1CC1)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.63
SLC6A3 Q01959 9/20 0.63
SLC6A4 P31645 8/20 0.63
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 2/20 0.58
NPC1 O15118 1/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
ESR1 P03372 1/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
ABCB1 P08183 1/20 0.58
ADRB1 P08588 1/20 0.58
HTR1A P08908 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL9843400 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL6944959 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL11133547 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL10995616 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL11133286 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL8253409 0.87 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL8242450 0.86 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL18888711 0.85 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL19207397 0.83 SLC6A2 (0.79) SLC6A2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL13204421 0.83 SLC6A2 (0.79) SLC6A2SLC6A3SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 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
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 (4 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 SLC6A2 71/4885SLC6A3 226/4885SLC6A4 34/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A2 3501/4885SLC6A3 4289/4885SLC6A4 4537/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A2 4758/4885SLC6A3 4742/4885SLC6A4 4825/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A2 3501/4885SLC6A3 4289/4885SLC6A4 4537/4885

“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.