SCHEMBL763502

SCHEMBL763502

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCCCCN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
HRH3 Q9Y5N1 11/20 0.49
CACNA1F O60840 3/20 0.49
BCHE P06276 3/20 0.49
CACNA1D Q01668 3/20 0.49
CACNA1S Q13698 3/20 0.49
CACNA1C Q13936 3/20 0.49
HRH4 Q9H3N8 1/20 0.49
KIF11 P52732 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL763436 0.99 ESR1 (0.53) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL8403829 0.99 ESR1 (0.53) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL764756 0.98 ESR1 (0.53) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL763508 0.97 ESR1 (0.53) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL763778 0.96 ESR1 (0.54) ESR1ESR2HRH3KIF11SIRT1
SCHEMBL764911 0.94 TP53 (0.47) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL763503 0.94 ESR1 (0.48) ESR1ESR2KIF11SIRT1TP53
SCHEMBL8403909 0.93 TP53 (0.48) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL763622 0.93 TP53 (0.48) ESR1ESR2HRH3CACNA1FBCHE
SCHEMBL763582 0.93 ESR1 (0.49) ESR1ESR2KIF11SIRT1TP53

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
EP-1737461-B1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2012-12-12 EP disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
EP-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
US-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
US-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 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 (5 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-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases VEGFA, FLT4, FLT1 ESR1 2111/4885ESR2 825/4885HRH3 691/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 ESR1 2536/4885ESR2 1207/4885HRH3 474/4885
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, FLT4, KDR ESR1 3911/4885ESR2 1352/4885HRH3 1042/4885
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS EIF2AK2, POLRMT, POLM ESR1 4820/4885ESR2 4200/4885HRH3 1907/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF ESR1 3414/4885ESR2 1908/4885HRH3 4225/4885

“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.