SCHEMBL6954394

SCHEMBL6954394

CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)C3CC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.67
SLC6A2 P23975 17/20 0.67
SLC6A3 Q01959 17/20 0.67
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
MLNR O43193 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
ABCB1 P08183 1/20 0.60
ADRB1 P08588 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL3366417 0.96 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL13409761 0.89 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6955496 0.89 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL13443612 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL6954333 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6250521 0.87 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL7740720 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL13409746 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3362667 0.84 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6267449 0.84 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SLC6A4 34/4885SLC6A2 71/4885SLC6A3 226/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885SLC6A2 3501/4885SLC6A3 4289/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885SLC6A2 4758/4885SLC6A3 4742/4885

“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.