SCHEMBL6945367

SCHEMBL6945367

CSc1ccc(Oc2ccc(CNc3ccccc3)cc2CN(C)C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.59
HTR2A P28223 3/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 4/20 0.41
CACNA1B Q00975 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 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
SCHEMBL6943256 0.81 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3
SCHEMBL6947430 0.81 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945836 0.81 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945794 0.80 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6952018 0.78 SLC6A4 (0.73) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3364476 0.78 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3CACNA1B
SCHEMBL13409793 0.78 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3363448 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL7211594 0.77 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945663 0.76 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 SLC6A4 4537/4885HTR2A 4618/4885KCNH2 2148/4885

“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.