SCHEMBL7437880

SCHEMBL7437880

Fc1ccc(C(OCCBr)c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.58
SLC6A3 Q01959 4/20 0.58
SLC6A2 P23975 3/20 0.58
SIGMAR1 Q99720 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL10580002 0.93 LMNA (0.60) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL10401527 0.88 SLC6A2 (0.54) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL7634181 0.79 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2LMNAIDO1
Flunamine SCHEMBL2110008 0.79 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL4278117 0.79 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL4283044 0.79 SLC6A2 (0.58) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL423398 0.79 SLC6A2 (0.62) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL3336564 0.78 SCN1A (0.57) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
Flunamine SCHEMBL7434697 0.78 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL8746929 0.76 SLC6A2 (0.54) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA

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-20110071124-A1 Compounds that Inhibit Production of sAPPB and AB and Uses Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-03-24 US disclosed
US-20110071124-A1 Compounds that Inhibit Production of sAPPB and AB and Uses Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-03-24 US disclosed
WO-2009137597-A1 COMPOUNDS THAT INHIBIT PRODUCTION OF sAPPβ AND Aβ AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-12 WO disclosed
US-6251363-B1 ALKYLENEDIAMINES WITH FLUORINE SUBSTITUTED OXYPHENYL GROUPS THE GENERAL HOSPITAL 2001-06-26 US disclosed
US-6001330-A DIAMINE DOPAMINE OR SEROTONIN LIGAND OF GIVEN FORMULA; LABELED WITH A RADIONUCLIDE AND ADMINISTERED FOR IMAGING DOPAMINE NEURONS IN A MAMMAL; TREATING COCAINE ABUSE GENERAL HOSPITAL CORPORATION, THE 1999-12-14 US disclosed
WO-1999012893-A1 DIAGNOSTIC AND THERAPEUTIC ALKYLENEDIAMINE COMPOUNDS AND PROCESS ELMALEH DAVID R (US) 1999-03-18 WO disclosed
US-5171752-A BENZHYDRYL DERIVATIVES HAVING CALMODULIN INHIBITOR PROPERTIES AKZO N.V. (NL) 1992-12-15 US disclosed
EP-0467435-A2 Benzhydryl derivatives having calmodulin inhibitor properties Akzo Nobel N.V. (NL) 1992-01-22 EP disclosed
US-4957927-A (Diarylmethoxy alkyl)-1-pyrrolidines and piperidines having cardiovascular activity LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-09-18 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-20110071124-A1 Compounds that Inhibit Production of sAPPB and AB and Uses Thereof SAP30BP, APP, BACE1 SLC6A4 4300/4885SLC6A3 2796/4885SLC6A2 2901/4885

“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.