SCHEMBL350747

SCHEMBL350747

FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.88
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
KCNK2 O95069 1/20 0.58
KCNH2 Q12809 1/20 0.58
CACNA1C Q13936 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
SCHEMBL10053312 0.92 HTR1A (0.76) HTR1ASLC6A2SLC6A3
SCHEMBL10052737 0.90 HTR1A (0.80) HTR1A
SCHEMBL349866 0.88 HTR1A (0.69) HTR1ASLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL7431833 0.88 HTR1A (0.74) HTR1ASLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL7443118 0.87 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL7427608 0.87 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL351933 0.87 HTR1A (0.81) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10052723 0.87 HTR1A (1.00) HTR1ASLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL10021769 0.86 HTR1A (0.80) HTR1ASLC6A2SLC6A3
SCHEMBL7427735 0.86 HTR1A (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576766-A1 Propanolamine derivatives, their preparation and use NOVO NORDISK A/S (DK) 1994-01-05 EP claimed
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-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
EP-0576766-A1 Propanolamine derivatives, their preparation and use NOVO NORDISK A/S (DK) 1994-01-05 EP 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 3/4885SLC6A2 15/4885SLC6A4 8/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A HTR1A 3/4885SLC6A2 15/4885SLC6A4 8/4885

“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.