SCHEMBL1333338

SCHEMBL1333338

Nc1nc(O[C@@H](c2ccc(-c3cccc(F)c3)cc2)C(F)(F)F)cc(-c2ccc(CC(N)C(=O)O)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 1.00
TPH2 Q8IWU9 11/20 1.00
ADORA3 P0DMS8 2/20 0.55
SLC6A2 P23975 2/20 0.55
AGTR1 P30556 2/20 0.55
SLC6A4 P31645 2/20 0.55
CCKAR P32238 2/20 0.55
SLC6A3 Q01959 2/20 0.55
F2 P00734 1/20 0.55
ESR1 P03372 1/20 0.55
DRD1 P21728 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
DRD3 P35462 1/20 0.55
MLNR O43193 1/20 0.47
NR3C1 P04150 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MC3R P41968 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL15956204 1.00 TPH1 (1.00) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL307901 1.00 TPH1 (1.00) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL1333341 1.00 TPH1 (1.00) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL19887000 1.00 TPH1 (1.00) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL29469452 1.00 TPH1 (1.00) TPH1TPH2ADORA3SLC6A2AGTR1
Hydrochloric Acid SCHEMBL31105829 0.99 TPH1 (0.98) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL871059 0.92 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL2724956 0.92 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL10185916 0.91 TPH1 (0.84) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL12628142 0.91 TPH1 (0.83) TPH1TPH2ADORA3SLC6A2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717727-B2 Methods of treating and preventing leukemia and other cancers of the blood and bone THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-01 US disclosed
US-9150521-B2 Methods of preventing and treating diabetes by inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-06 US disclosed
US-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-12-25 US disclosed
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-09 US disclosed
US-8614222-B2 Methods of preventing and treating low bone mass diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-12-24 US disclosed
US-20130338176-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-12-19 US disclosed
WO-2013074889-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-05-23 WO disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
US-20110152220-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 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 (6 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-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885TPH2 3/4885ADORA3 36/4885
US-20130338176-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS TPH1, PON1, APOB TPH1 1/4885TPH2 4/4885ADORA3 146/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A TPH1 1/4885TPH2 2/4885ADORA3 183/4885
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885TPH2 3/4885ADORA3 47/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT TPH1 1/4885TPH2 2/4885ADORA3 148/4885
US-20110152220-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885TPH2 3/4885ADORA3 34/4885

“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.