SCHEMBL5533459

SCHEMBL5533459

CCCCC(Oc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.55
SLC6A9 P48067 3/20 0.52
SLC6A4 P31645 6/20 0.51
HTR1A P08908 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 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
SCHEMBL13042191 0.90 SLC6A9 (0.54) SLC7A5SLC6A9SLC6A4HTR1AHRH3
SCHEMBL27299983 0.90 SLC6A4 (0.62) SLC7A5SLC6A4HRH3KDM4EMEN1
SCHEMBL17278094 0.84 SLC7A5 (0.71) SLC7A5SLC6A9SLC6A4HTR1A
SCHEMBL17280858 0.84 SLC7A5 (0.71) SLC7A5SLC6A9SLC6A4HTR1A
SCHEMBL17280857 0.84 SLC7A5 (0.71) SLC7A5SLC6A9SLC6A4HTR1A
SCHEMBL15257454 0.83 SLC6A4 (0.68) SLC6A4HRH3KDM4EMEN1NPC1
SCHEMBL17280831 0.83 SLC7A5 (0.69) SLC7A5SLC6A9SLC6A4HTR1A
SCHEMBL10021745 0.83 IGLV6-57 (0.51) SLC7A5SLC6A9SLC6A4HTR1AHRH3
SCHEMBL4450767 0.83 SLC6A4 (0.50) SLC7A5SLC6A4HRH3KDM4EMEN1
SCHEMBL2776404 0.83 SLC7A5 (0.53) SLC7A5SLC6A9SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS WILMINGTON SAVINGS FUND SOCIETY, FSB 2017-01-12 US disclosed
US-9238033-B2 Pharmaceutical composition containing KW-6002 and fluoxetine or paroxentine KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-01-19 US disclosed
US-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-05-21 US disclosed
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20130237526-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-09-12 US disclosed
US-8440678-B2 Pharmaceutical composition KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-05-14 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-20120010225-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK SLC7A5 141/4885SLC6A9 472/4885SLC6A4 823/4885
US-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC7A5 4202/4885SLC6A9 4130/4885SLC6A4 978/4885
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC7A5 4202/4885SLC6A9 4130/4885SLC6A4 978/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C SLC7A5 1472/4885SLC6A9 3115/4885SLC6A4 65/4885
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC7A5 4202/4885SLC6A9 4130/4885SLC6A4 978/4885
US-20120010225-A1 PHARMACEUTICAL COMPOSITION ADORA2A, HTR2C, HTR5A SLC7A5 227/4885SLC6A9 1016/4885SLC6A4 39/4885
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same PC, PDK1, PDK2 SLC7A5 2103/4885SLC6A9 1231/4885SLC6A4 1528/4885
US-20130237526-A1 PHARMACEUTICAL COMPOSITION ADORA2A, HTR2C, HTR5A SLC7A5 227/4885SLC6A9 1016/4885SLC6A4 39/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC7A5 4623/4885SLC6A9 4836/4885SLC6A4 3269/4885

“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.