SCHEMBL368083

SCHEMBL368083

Fc1ccc(OC(CN2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL348989 0.84 HTR1A (0.53) SLC6A4HTR1A
SCHEMBL1206920 0.83 HTR1A (0.64) SLC6A4HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL10021746 0.79 HTR1A (0.62) SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL7289000 0.78 SLC6A2 (0.57) SLC6A4SIGMAR1SLC6A2SLC6A3KCNH2
SCHEMBL5750545 0.77 LTA4H (0.49) SLC6A4HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL351932 0.77 HTR1A (0.69) HTR1A
SCHEMBL10021759 0.77 HTR1A (0.63) SLC6A4HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL10982483 0.77 SIGMAR1 (0.51) SLC6A4SIGMAR1SLC6A2SLC6A3KCNH2
SCHEMBL8238268 0.76 SLC6A2 (0.40) SLC6A4HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL10021749 0.76 HTR1A (0.48) SLC6A4HTR1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
US-7893261-B2 bi-functional organic molecules which combine serotonin transporter reuptake inhibition with serotonin (5-HT, such as 5-HT2A) receptor antagonism in one molecular entity BAYLOR UNIVERSITY (US) 2011-02-22 US disclosed
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US disclosed
EP-1732610-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2006-12-20 EP disclosed
WO-2005094896-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2005-10-13 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A SLC6A4 8/4885HTR1A 3/4885SIGMAR1 53/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A SLC6A4 8/4885HTR1A 3/4885SIGMAR1 53/4885

“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.