SCHEMBL5149801

SCHEMBL5149801

Cc1ccc2[nH]cc(CCNO)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.70
MTNR1B P49286 1/20 0.70
HTR2A P28223 4/20 0.65
HTR1D P28221 1/20 0.65
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
GFER P55789 1/20 0.57
MPO P05164 1/20 0.57
SLC6A4 P31645 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 1/20 0.56
HTR2C P28335 1/20 0.56
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54

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
SCHEMBL4303662 0.86 KDM4E (0.70) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL27788551 0.83 HTR2C (0.75) HTR2AHTR1DMAPTMPOSLC6A4
SCHEMBL31543697 0.82 MTNR1A (1.00) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL1771902 0.82 MTNR1A (1.00) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL2831695 0.82 HTR2A (0.71) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL26664111 0.82 MTNR1A (0.63) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL10310452 0.81 MTNR1A (0.70) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL6028824 0.81 MTNR1A (0.70) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL765005 0.81 MTNR1A (0.68) MTNR1AMTNR1BHTR2AHTR1DMPO
Iodide SCHEMBL30672198 0.81 MTNR1A (0.61) MTNR1AMTNR1BHTR2AHTR1DMAPT

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 23 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-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US 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-20110160190-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2011-06-30 US disclosed
CN-102018715-A Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier PHILADELPHIA HEALTH & EDUCATIO 2011-04-20 CN disclosed
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100125065-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-05-20 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 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
EP-1534256-A4 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER PHILADELPHIA HEALTH & EDUCATIO (US) 2007-06-20 EP disclosed
US-20060183757-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier Philadelphia Health and 2006-08-17 US disclosed
US-20060135415-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier JAMESON BRADFORD A 2006-06-22 US disclosed
US-20060039903-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors JAMESON BRADFORD A 2006-02-23 US disclosed
US-6979447-B2 Immunomodulation and effect on cell processes relating to serotonin family receptors PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2005-12-27 US disclosed
CN-1674879-A Immunomodulation and effects on cellular processes involving serotonin family receptors and the blood brain barrier PHILADELPHIA HEALTH & EDUCATIO (US) 2005-09-28 CN disclosed
EP-1534256-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER Philadelphia Health and Education Corporation (US) 2005-06-01 EP disclosed
WO-2003106660-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2003-12-24 WO disclosed
US-20030100570-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors PHILADELPHIA HEALTH AND EDUCATION CORPORATION (D/B/A MCH HAHNEMANN UNIVERSITY) 2003-05-29 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 (9 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-20110160190-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF MTNR1A 781/4885MTNR1B 644/4885HTR2A 2224/4885
US-20060039903-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors HTR6, HTR3B, HTR4 MTNR1A 140/4885MTNR1B 37/4885HTR2A 10/4885
US-20060135415-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier HTR2A, HTR1B, HTR5A MTNR1A 189/4885MTNR1B 47/4885HTR2A 1/4885
US-20060183757-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier HTR2A, HTR1B, HTR5A MTNR1A 189/4885MTNR1B 47/4885HTR2A 1/4885
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 MTNR1A 398/4885MTNR1B 477/4885HTR2A 1527/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 MTNR1A 611/4885MTNR1B 644/4885HTR2A 1837/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF MTNR1A 781/4885MTNR1B 644/4885HTR2A 2224/4885
US-20030100570-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors HTR6, HTR3B, HTR4 MTNR1A 140/4885MTNR1B 37/4885HTR2A 10/4885
US-20100125065-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, KDR MTNR1A 236/4885MTNR1B 129/4885HTR2A 2036/4885

“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.