SCHEMBL6703601

SCHEMBL6703601

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CCOC1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ CYP19A1 P11511 12/20 0.64
▸ CYP3A4 P08684 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ IL6 P05231 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ SERPINA6 P08185 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ AR P10275 1/20 0.46
▸ GLUL P15104 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ GPBAR1 Q8TDU6 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL17852532 1.00 LMNA (0.65) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL11650163 0.84 LMNA (0.70) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL19073469 0.82 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL13259847 0.82 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL14962034 0.82 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL17775770 0.81 LMNA (0.77) LMNAMAPTCYP19A1CYP3A4
SCHEMBL12857031 0.81 LMNA (0.69) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL1144570 0.81 LMNA (0.69) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL27046922 0.80 LMNA (0.75) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL27046895 0.79 LMNA (0.70) LMNAMAPTCYP19A1CYP3A4HSD17B10

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
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure G.D. SEARLE & CO. 2004-05-27 — — US claimed
WO-1996040258-A2 SPIRONOLACTONE AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE G.D. SEARLE & CO. (US) 1996-12-19 — — WO claimed
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure G.D. SEARLE & CO. 2004-05-27 — — US disclosed
US-20040097476-A1 Use of low dose amount of aldosterone antagonist for treatment of cardiovascular disease G.D. SEARLE & CO. 2004-05-20 — — US disclosed
US-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone G.D. SEARLE & CO. (US) 2004-04-08 — — US disclosed
US-20030144213-A1 Combination therapy of angiotensin converting enzyme inhibitor, side-effect reduced amount of aldosterone antagonist and diuretic for treatment of cardiovascular disease G.D. SEARLE & CO. 2003-07-31 — — US disclosed
WO-1996040258-A2 SPIRONOLACTONE AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE G.D. SEARLE & CO. (US) 1996-12-19 — — WO disclosed
WO-1996040256-A1 METHOD TO TREAT CARDIOFIBROSIS WITH A COMBINATION OF AN ANGIOTENSIN II ANTAGONIST AND SPIRONOLACTONE G.D. SEARLE & CO. (US) 1996-12-19 — — 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-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone AGTR2, AGTR1, NR3C2 LMNA 344/4885MAPT 4652/4885CYP19A1 638/4885
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure AGTR2, AGTR1, NR3C2 LMNA 2097/4885MAPT 4138/4885CYP19A1 1754/4885
US-20030144213-A1 Combination therapy of angiotensin converting enzyme inhibitor, side-effect reduced amount of aldosterone antagonist and diuretic for treatment of cardiovascular disease ACE, REN, AGTR1 LMNA 1924/4885MAPT 3517/4885CYP19A1 1979/4885
US-20040097476-A1 Use of low dose amount of aldosterone antagonist for treatment of cardiovascular disease NR3C2, REN, AGTR1 LMNA 1491/4885MAPT 4274/4885CYP19A1 2289/4885

“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.

Send feedback