SCHEMBL350462

SCHEMBL350462

Fc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.64
SIGMAR1 Q99720 2/20 0.52
IGF1R P08069 1/20 0.52
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR7 P34969 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA1G O43497 1/20 0.47

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
SCHEMBL10052730 0.94 HTR1A (0.60) HTR1ASIGMAR1IGF1RSLC6A2SLC6A3
SCHEMBL10021754 0.91 HTR1A (0.54) HTR1ASIGMAR1IGF1RSLC6A2SLC6A3
SCHEMBL10021769 0.90 HTR1A (0.80) HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL1206920 0.87 HTR1A (0.64) HTR1ASIGMAR1SLC6A2SLC6A3MAPT
SCHEMBL349866 0.86 HTR1A (0.69) HTR1ASLC6A2SLC6A3MEN1MAPK1
SCHEMBL368137 0.85 MAPT (0.57) HTR1ASIGMAR1IGF1RSLC6A2SLC6A3
SCHEMBL10052740 0.84 HTR1A (0.64) HTR1AMAPTLMNAMEN1KMT2A
SCHEMBL10053312 0.83 HTR1A (0.76) HTR1ASIGMAR1SLC6A2SLC6A3
SCHEMBL10021770 0.81 HTR1A (0.68) HTR1ASIGMAR1
SCHEMBL28790508 0.76 IGF1R (0.58) HTR1ASIGMAR1IGF1RHTR7MAPT

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 3/4885SIGMAR1 53/4885IGF1R 1936/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A HTR1A 3/4885SIGMAR1 53/4885IGF1R 1936/4885

“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.