SCHEMBL351933

SCHEMBL351933

Fc1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.81
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58

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
SCHEMBL10021767 0.89 HTR1A (0.67) HTR1ASIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10021744 0.88 HTR1A (0.85) HTR1AHTR2ASIGMAR1
SCHEMBL1206920 0.87 HTR1A (0.64) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL10021775 0.87 HTR1A (0.67) HTR1ASLC6A4
SCHEMBL10021769 0.87 HTR1A (0.80) HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL350747 0.87 HTR1A (0.88) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10021773 0.86 HTR1A (0.78) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL10021795 0.85 HTR1A (0.68) HTR1A
SCHEMBL10021790 0.84 HTR1A (0.88) HTR1A
SCHEMBL10021771 0.83 HTR1A (0.62) HTR1A

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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
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-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-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
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US disclosed
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 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 (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 HTR1A 3/4885DRD2 54/4885HTR2A 1/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A HTR1A 3/4885DRD2 54/4885HTR2A 1/4885

“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.