SCHEMBL13970141

SCHEMBL13970141

CC1(C)Oc2ccc(C#N)cc2[C@@H](N/C(=N/C#N)Nc2ccc(Cl)cc2)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.65
ABCB1 P08183 4/20 0.50

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
SCHEMBL8938937 1.00 ABCC9 (0.65) ABCC9ABCB1
SCHEMBL4254900 1.00 ABCC9 (0.65) ABCC9ABCB1
SCHEMBL8983497 0.94 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983583 0.94 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983483 0.94 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983485 0.94 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983455 0.91 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983539 0.91 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983452 0.91 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983468 0.91 ABCC9 (0.57) ABCC9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 ABCC9 384/4885ABCB1 1406/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME ABCC9 482/4885ABCB1 1229/4885

“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.