Emakalim

Emakalim

SCHEMBL6375795

CC1(C)Oc2ccc(C#N)cc2C(n2ccccc2=O)[C@@H]1O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.64
ABCC8 Q09428 2/20 0.62
KCNJ11 Q14654 2/20 0.62
KCNJ8 Q15842 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 1/20 0.62
ABCB1 P08183 6/20 0.58
KDM4E B2RXH2 1/20 0.51

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
Emakalim SCHEMBL9142302 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL4258884 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL7273953 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL231719 1.00 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084996 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7267817 0.87 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7274507 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL5047102 0.87 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084602 0.86 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7273811 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 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 (1 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 ABCC9 633/4885ABCC8 1479/4885KCNJ11 38/4885

“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.