SCHEMBL2701757

SCHEMBL2701757

NCC1(c2ccc(F)cc2)CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.68
SLC6A4 P31645 8/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
DPP4 P27487 1/20 0.44
SLC6A2 P23975 1/20 0.42
P2RX7 Q99572 1/20 0.42
LMNA P02545 1/20 0.41
ICMT O60725 1/20 0.41

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
Hydrochloric Acid SCHEMBL29428975 0.98 SLC6A3 (0.66) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL1672596 0.86 SLC6A3 (0.81) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL12542428 0.86 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2P2RX7LMNA
SCHEMBL2562611 0.82 SLC6A3 (0.89) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL5495766 0.82 SLC6A3 (0.96) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL2701343 0.81 SLC6A3 (0.68) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL12614285 0.81 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2P2RX7ICMT
SCHEMBL3416399 0.81 LMNA (0.48) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL1492948 0.81 MAOA (0.73) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL3518807 0.81 SLC6A3 (1.00) SLC6A3SLC6A4DPP4SLC6A2

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 6 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885SLC6A4 2532/4885MAOA 2507/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885SLC6A4 2532/4885MAOA 2507/4885

“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.