SCHEMBL6151969

SCHEMBL6151969

CSc1ccc(Oc2ccccc2CN(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
HTR2A P28223 5/20 1.00
KCNH2 Q12809 2/20 1.00
SLC6A2 P23975 12/20 0.72
SLC6A3 Q01959 11/20 0.72

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
Sulfuric Acid SCHEMBL5697699 0.92 SLC6A4 (0.84) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL20852479 0.86 SLC6A4 (0.76) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151816 0.85 SLC6A4 (0.74) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19361260 0.82 SLC6A4 (0.77) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL16216154 0.82 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL16216185 0.82 SLC6A4 (0.77) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL9121785 0.81 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL18401370 0.81 SLC6A4 (0.75) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6947037 0.81 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6946108 0.81 SLC6A4 (1.00) 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 9 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
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
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
US-20050119504-A1 New process for the preparation of a biphenyl ether compound PFIZER INC 2005-06-02 US disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 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 (5 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 34/4885HTR2A 10/4885KCNH2 1523/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885HTR2A 4618/4885KCNH2 2148/4885
US-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 SLC6A4 2002/4885HTR2A 1502/4885KCNH2 438/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885HTR2A 3555/4885KCNH2 1927/4885
US-20050119504-A1 New process for the preparation of a biphenyl ether compound TPH1, SLC6A4, HTR4 SLC6A4 2/4885HTR2A 24/4885KCNH2 1895/4885

“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.