SCHEMBL2701733

SCHEMBL2701733

O=C(O)C1(Cc2ccccc2F)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
OPRM1 P35372 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
METAP2 P50579 1/20 0.36
RIPK1 Q13546 1/20 0.36
RAB9A P51151 1/20 0.36

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 SCHEMBL6208767 0.98 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4CYP2D6CYP4F2
SCHEMBL9314416 0.89 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1KMT2AKDM4E
SCHEMBL28089926 0.83 CYP2D6 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6CYP4F2
SCHEMBL30529425 0.82 DPP4 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6ALDH1A1
SCHEMBL28761351 0.82 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6CYP4F2
SCHEMBL8762061 0.82 OPRM1 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6OPRM1
SCHEMBL13269560 0.81 OPRM1 (0.53) OPRM1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1919144 0.79 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CYP2D6OPRM1
SCHEMBL376860 0.78 GRIN2B (0.40) SLC6A2SLC6A3SLC6A4CYP2D6OPRM1
Hydrochloric Acid SCHEMBL20138412 0.76 GRIN2B (0.39) SLC6A2SLC6A3SLC6A4CYP2D6OPRM1

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 11 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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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 (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 SLC6A2 3027/4885SLC6A3 3169/4885SLC6A4 2532/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SLC6A2 3027/4885SLC6A3 3169/4885SLC6A4 2532/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 SLC6A2 2398/4885SLC6A3 2763/4885SLC6A4 2256/4885

“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.