SCHEMBL350781

SCHEMBL350781

NCC(Oc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.60
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KCNK2 O95069 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
SLC7A5 Q01650 9/20 0.49
NOS2 P35228 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A9 P48067 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL3034916 0.87 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7053112 0.86 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrogen Sulfide SCHEMBL27817937 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17278097 0.82 SLC7A5 (0.72) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL28156793 0.82 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL11754821 0.82 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL351985 0.82 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL18960366 0.82 NOS2 (0.62) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2738930 0.81 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7409520 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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 7 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-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-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 8/4885SLC6A2 15/4885SLC6A3 30/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A SLC6A4 8/4885SLC6A2 15/4885SLC6A3 30/4885

“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.