SCHEMBL763949

SCHEMBL763949

O=[N+]([O-])CCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
GPR84 Q9NQS5 1/20 0.59
HTR1A P08908 5/20 0.57
SLC6A4 P31645 3/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
CSNK2A1 P68400 1/20 0.52
HTR2C P28335 2/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1A P35348 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
SCHEMBL2539769 0.88 CHRNB2 (0.57) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL28370930 0.82 HTR2A (0.61) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL28374497 0.82 MPO (0.61) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL8404321 0.82 HTR2A (0.61) HTR2AHTR1ASLC6A4MTNR1AMTNR1B
SCHEMBL5430044 0.82 HTR2A (0.80) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL2539333 0.79 SLC6A4 (0.57) HTR1ASLC6A4DRD2DRD3
SCHEMBL29440786 0.79 HTR2A (0.64) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL28704885 0.79 HTR2A (0.64) HTR2ATRPM8GPR84HTR1ASLC6A4
SCHEMBL2187283 0.78 PKM (0.62) HTR2ATRPM8GPR84HTR1AHTR2C
SCHEMBL30995725 0.78 PKM (0.62) HTR2ATRPM8GPR84HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-8076352-B2 Administration of carboline derivatives useful in the treatment of cancer and other diseases PTC THERAPEUTICS, INC. (US) 2011-12-13 US 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
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
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 US disclosed
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 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 HTR2A 1527/4885TRPM8 4861/4885GPR84 1127/4885
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 HTR2A 1527/4885TRPM8 4861/4885GPR84 1127/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 HTR2A 1837/4885TRPM8 4849/4885GPR84 1097/4885
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, FLT4, KDR HTR2A 2036/4885TRPM8 4258/4885GPR84 721/4885
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 HTR2A 824/4885TRPM8 3424/4885GPR84 2192/4885

“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.