SCHEMBL2703418

SCHEMBL2703418

NCC1(c2cccc(F)c2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A2 P23975 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM1A O60341 2/20 0.44
DPP4 P27487 1/20 0.43

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
SCHEMBL3223371 0.88 MAOA (0.59) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL7196726 0.85 SLC6A3 (0.64) SLC6A3SLC6A4SLC6A2MAOAMAOB
Water SCHEMBL7265593 0.83 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL3517422 0.83 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL15290256 0.81 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL13344069 0.81 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL2700499 0.81 SLC6A4 (0.71) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL2702974 0.81 ICMT (0.53) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL12585395 0.80 SLC6A4 (0.74) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL6385369 0.80 SLC6A4 (0.74) SLC6A3SLC6A4SLC6A2

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-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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 (3 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885SLC6A4 2532/4885SLC6A2 3027/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885SLC6A4 2532/4885SLC6A2 3027/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 SLC6A3 2763/4885SLC6A4 2256/4885SLC6A2 2398/4885

“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.