SCHEMBL3416397

SCHEMBL3416397

Cc1ccc(C2(C(N)=O)CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALOX5 P09917 4/20 0.52
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL171875 0.87 LMNA (0.47) LMNAALOX5HRH3ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL435506 0.85 OPRM1 (0.46) LMNAALOX5HRH3ALDH1A1CYP2C9
SCHEMBL16424490 0.84 HDAC1 (0.53) LMNAALOX5HRH3ALDH1A1CYP2C9
SCHEMBL16897539 0.84 LMNA (0.60) LMNAALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL14161396 0.84 LMNA (0.53) LMNAALOX5ALDH1A1CYP2C9CYP3A4
SCHEMBL6202789 0.84 LMNA (0.57) LMNAALDH1A1CYP2C9CYP3A4TSHR
SCHEMBL15349227 0.83 HDAC1 (0.53) LMNAALOX5HRH3ALDH1A1TSHR
SCHEMBL2701341 0.83 ALDH1A1 (0.54) LMNAALOX5HRH3ALDH1A1HSD11B1
SCHEMBL2701756 0.83 ALOX5 (0.49) LMNAALOX5HRH3ALDH1A1TSHR
SCHEMBL2703559 0.82 ALDH1A1 (0.58) LMNAALOX5HRH3ALDH1A1CYP2C9

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 10 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-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 LMNA 1070/4885ALOX5 1674/4885HRH3 2837/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 LMNA 1070/4885ALOX5 1674/4885HRH3 2837/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 LMNA 973/4885ALOX5 1256/4885HRH3 2169/4885

“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.