SCHEMBL4407734

SCHEMBL4407734

CCOc1c(Nc2ccc(C#N)cc2CC)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.59
ABCC8 Q09428 1/20 0.59
KCNJ11 Q14654 1/20 0.59
KCNJ8 Q15842 1/20 0.59
GAA P10253 1/20 0.50
POLB P06746 1/20 0.44
CXCR2 P25025 3/20 0.41
MAPT P10636 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
EGLN2 Q96KS0 1/20 0.36
MAP2K1 Q02750 2/20 0.34
STK4 Q13043 1/20 0.33
BRPF1 P55201 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PGR P06401 1/20 0.33
SRC P12931 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL8768944 0.87 GAA (0.50) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL6105640 0.86 GAA (0.62) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL8670859 0.85 GAA (0.48) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL7898502 0.81 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL6642520 0.80 POLB (0.63) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL8768090 0.78 POLB (0.51) GAAPOLBCXCR2MAPTRXFP1
SCHEMBL6024203 0.74 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CXCR2
SCHEMBL4258934 0.74 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CXCR2
SCHEMBL8414608 0.74 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL8870947 0.72 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010509-B1 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2014-09-03 EP disclosed
US-20090312412-A1 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES AS POTASSIUM CHANNEL OPENERS LANTER JAMES C 2009-12-17 US disclosed
EP-0796243-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PROD (US) 1999-01-27 EP disclosed
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP disclosed
EP-0796243-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-24 EP disclosed
EP-0789690-A1 N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-20 EP disclosed
US-5605909-A REDUCING ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5532245-A TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US disclosed
US-5530025-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
WO-1996015103-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-23 WO disclosed
WO-1996014300-A1 N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-17 WO disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
US-5466712-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 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 (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-20090312412-A1 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN3, KCNN2 ABCC9 395/4885ABCC8 250/4885KCNJ11 22/4885

“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.