SCHEMBL2301736

SCHEMBL2301736

FC(F)(F)Oc1ccccc1OC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.60
HTR1A P08908 7/20 0.60
SLC6A3 Q01959 4/20 0.60
HRH1 P35367 5/20 0.57
SLC6A4 P31645 5/20 0.48

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
Hydrochloric Acid SCHEMBL4100525 0.98 SLC6A2 (0.59) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL2301811 0.90 SLC6A2 (0.62) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL14957027 0.84 SLC6A2 (0.60) SLC6A2HTR1ASLC6A3SLC6A4
SCHEMBL2299199 0.80 PDE3B (0.41) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL649698 0.80 EPHX2 (0.41) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL83377 0.80 HRH1 (0.57) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL646216 0.80 EPHX2 (0.41) SLC6A2HTR1ASLC6A3HRH1SLC6A4
Hydrochloric Acid SCHEMBL473008 0.79 HRH1 (0.55) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL19527766 0.78 HTR1A (0.62) SLC6A2HTR1ASLC6A3HRH1SLC6A4
SCHEMBL234010 0.77 SLC6A2 (0.81) SLC6A2HTR1ASLC6A3HRH1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US claimed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US claimed
EP-2179988-A1 Producing (N-heterocyclic) aryl ethers Saltigo GmbH (DE) 2010-04-28 EP claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US disclosed
EP-2179988-A1 Producing (N-heterocyclic) aryl ethers Saltigo GmbH (DE) 2010-04-28 EP disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO 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 (2 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 SLC6A2 4072/4885HTR1A 1100/4885SLC6A3 3360/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I SLC6A2 475/4885HTR1A 391/4885SLC6A3 1199/4885

“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.