SCHEMBL2700951

SCHEMBL2700951

O=C(C1CC1c1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.59
▸ HRH3 Q9Y5N1 11/20 0.58
▸ KMT2A Q03164 2/20 0.53
▸ TET3 O43151 1/20 0.53
▸ FBXL19 Q6PCT2 1/20 0.53
▸ CXXC5 Q7LFL8 1/20 0.53
▸ TET1 Q8NFU7 1/20 0.53
▸ KDM2B Q8NHM5 1/20 0.53
▸ CXXC4 Q9H2H0 1/20 0.53
▸ KDM2A Q9Y2K7 1/20 0.53
▸ AR P10275 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.47

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
SCHEMBL2471814 0.83 SIGMAR1 (0.73) SIGMAR1HRH3KMT2AARMEN1
SCHEMBL2471588 0.82 ALDH1A1 (0.55) SIGMAR1HRH3ALDH1A1
SCHEMBL10123280 0.79 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL870758 0.79 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL10253032 0.79 HRH3 (0.53) SIGMAR1HRH3
SCHEMBL12194705 0.79 SIGMAR1 (0.46) SIGMAR1HRH3KMT2AARMEN1
SCHEMBL2471160 0.79 CHRM5 (0.47) SIGMAR1HRH3
SCHEMBL10252725 0.79 CHRM5 (0.47) SIGMAR1HRH3
SCHEMBL2701744 0.78 SIGMAR1 (0.55) SIGMAR1HRH3KMT2AARMEN1
SCHEMBL2465508 0.77 KCNH2 (0.54) SIGMAR1HRH3KMT2AALDH1A1

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 claimed
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

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 SIGMAR1 2910/4885HRH3 2837/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SIGMAR1 2910/4885HRH3 2837/4885KMT2A 957/4885

“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.

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