SCHEMBL2701341

SCHEMBL2701341

NC(=O)C1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAP4K4 O95819 1/20 0.50
ALOX5 P09917 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HDAC4 P56524 1/20 0.46
HSD11B1 P28845 6/20 0.45
LMNA P02545 2/20 0.45
P2RX7 Q99572 4/20 0.44
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 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
SCHEMBL15349038 0.90 ALDH1A1 (0.48) ALDH1A1MAP4K4ALOX5HRH3HDAC4
SCHEMBL1975025 0.87 HSD11B1 (0.56) ALDH1A1HDAC4HSD11B1LMNAOPRM1
SCHEMBL1625869 0.84 MAP4K4 (0.61) ALDH1A1MAP4K4HDAC4HSD11B1LMNA
SCHEMBL16424490 0.84 HDAC1 (0.53) ALDH1A1MAP4K4ALOX5HRH3LMNA
SCHEMBL10002416 0.84 HDAC4 (0.59) ALDH1A1MAP4K4HDAC4HSD11B1LMNA
SCHEMBL5862774 0.84 HDAC4 (0.64) ALDH1A1MAP4K4HDAC4HSD11B1LMNA
SCHEMBL15349227 0.83 HDAC1 (0.53) ALDH1A1ALOX5HRH3LMNAP2RX7
SCHEMBL3416397 0.83 LMNA (0.55) ALDH1A1ALOX5HRH3HSD11B1LMNA
SCHEMBL2701756 0.83 ALOX5 (0.49) ALDH1A1ALOX5HRH3HSD11B1LMNA
SCHEMBL2703559 0.82 ALDH1A1 (0.58) ALDH1A1ALOX5HRH3LMNAOPRL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US 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-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
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 ALDH1A1 3941/4885MAP4K4 599/4885ALOX5 1674/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885MAP4K4 599/4885ALOX5 1674/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A ALDH1A1 1615/4885MAP4K4 2569/4885ALOX5 795/4885

“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.