SCHEMBL6941770

SCHEMBL6941770

Cc1cc([C@@H]2CCCc3ccccc32)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.56
MAPK1 P28482 1/20 0.46
MAPK14 Q16539 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
SLC6A2 P23975 16/20 0.44
SLC6A4 P31645 16/20 0.44
SLC6A3 Q01959 16/20 0.44
CYP2D6 P10635 8/20 0.44
KCNH2 Q12809 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL20468142 0.89 GID4 (0.56) GID4MAPK1MAPK14HAO1SLC6A2
SCHEMBL5029704 0.87 SLC6A2 (0.57) GID4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8238524 0.87 SLC6A2 (0.57) GID4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29757864 0.87 SLC6A2 (0.57) GID4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4732235 0.87 SLC6A2 (0.57) GID4SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL5955564 0.85 SLC6A2 (0.56) GID4MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL7452684 0.83 GID4 (0.56) GID4MAPK1MAPK14HAO1SLC6A2
SCHEMBL7453365 0.81 GID4 (0.64) GID4MAPK1MAPK14HAO1
SCHEMBL20863599 0.79 HAO1 (0.53) GID4MAPK1MAPK14HAO1SLC6A2
SCHEMBL5709376 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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-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

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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS GID4 3620/4885MAPK1 4265/4885MAPK14 4211/4885

“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.