SCHEMBL4255040

SCHEMBL4255040

Cc1ccc(C2C3=C(COCC3=O)NC3=C2C(=O)OC3)cc1I

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.63
KCNJ11 Q14654 20/20 0.63
ABCC8 Q09428 14/20 0.63
KCNJ8 Q15842 14/20 0.63

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
SCHEMBL4255043 1.00 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5073127 0.93 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7843620 0.92 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099014 0.89 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7098949 0.89 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7148311 0.86 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7149143 0.86 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7147032 0.86 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7145347 0.86 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7149196 0.86 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US claimed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US claimed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP claimed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO claimed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-6632418-B2 Therapy for asthma, sexual disorders, hypotensive agents, analgesics ABBOTT LABORATORIES 2003-10-14 US disclosed
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators ABBOTT LABORATORIES 2003-04-03 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 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 (4 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 ABCC9 632/4885KCNJ11 4/4885ABCC8 915/4885
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 ABCC9 384/4885KCNJ11 18/4885ABCC8 415/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME ABCC9 482/4885KCNJ11 24/4885ABCC8 605/4885
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators KCNN3, KCNN1, KCNN2 ABCC9 512/4885KCNJ11 47/4885ABCC8 485/4885

“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.