SCHEMBL2316403

SCHEMBL2316403

NNCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.73
CYP2D6 P10635 4/20 0.73
KDM4E B2RXH2 3/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
HTR1A P08908 4/20 0.69
HTR2A P28223 4/20 0.69
HTR2B P41595 3/20 0.69
CYP1A2 P05177 3/20 0.69
HTR1D P28221 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
HTR1B P28222 2/20 0.69
HTR3E A5X5Y0 1/20 0.69
HTR3B O95264 1/20 0.69
TSHR P16473 1/20 0.69
DRD1 P21728 1/20 0.69
HTR1E P28566 1/20 0.69
HTR1F P30939 1/20 0.69
HTR7 P34969 1/20 0.69

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
SCHEMBL27788551 0.86 HTR2C (0.75) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL28672341 0.85 HTR2C (0.70) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL29471374 0.84 HTR2C (1.00) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL1127784 0.84 HTR2C (1.00) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL14297488 0.84 HTR2C (0.73) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL29679229 0.82 SPR (0.76) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL6028502 0.82 SPR (0.67) HTR2CCYP2D6KDM4EMEN1KMT2A
SCHEMBL13645692 0.82 SPR (0.76) HTR2CCYP2D6KDM4EMEN1KMT2A
Serotonin SCHEMBL1495 0.82 HTR2C (1.00) HTR2CCYP2D6KDM4EMEN1KMT2A
Serotonin SCHEMBL30057954 0.82 HTR2C (1.00) HTR2CCYP2D6KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989968-A Carbostyril derivatives and serotonin reuptake inhibitors for treatment of mood disorders OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN claimed
CN-114410547-B Lactobacillus pentosus LPQ1 capable of promoting 5-HTP secretion and relieving depression and application thereof 西南大学 2023-08-01 CN disclosed
CN-114410547-A Lactobacillus pentosus LPQ1 capable of promoting secretion of 5-HTP and relieving depression and application thereof 西南大学 2022-04-29 CN disclosed
CN-105384676-B Triple reuptaking inhibitors and its application method 桑诺维恩药品公司 2019-05-07 CN disclosed
CN-103025357-B Selectively deliver compositions and the method for the most specific neural metaclass of oligonucleotide molecules NLIFE THERAPEUTICS, S.L. (ES) 2016-12-14 CN disclosed
US-20160032330-A1 P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-04 US disclosed
US-9075014-B2 pH-responsive fluorescent false neurotransmitters and their use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-07-07 US disclosed
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 US disclosed
CN-102286582-B Method for preparing memory-improving bioactive peptide from deep sea fish UNIV SOUTH CHINA TECH 2013-07-24 CN disclosed
US-20130171664-A1 PH-RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-07-04 US disclosed
US-20090311795-A1 BILATERAL CONTROL OF FUNCTIONS TRADITIONALLY REGULATED BY ONLY SEROTONIN OR ONLY DOPAMINE Vidas, Arrett & Steinkraus, P.A. 2009-12-17 US disclosed
WO-2009152426-A1 BILATERAL CONTROL OF FUNCTIONS TRADITIONALLY REGULATED BY ONLY SEROTONIN OR ONLY DOPAMINE HINZ MARTIN (US) 2009-12-17 WO disclosed
CN-101406469-A Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods LUNDBECK & CO AS H (DK) 2009-04-15 CN disclosed
CN-100446767-C Use of GAL3 receptor antagonists for the manufacture of a medicament for the treatment of depression and/or anxiety and compounds useful in such a method SYNAPTIC PHARMA CORP (DK) 2008-12-31 CN disclosed
WO-2008013997-A2 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 WO disclosed
CN-1499970-A Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods �����յٿ�ҩ�����޹�˾ 2004-05-26 CN disclosed
WO-2001013715-A2 ANIMAL MODEL AND USES THEREOF THE BABRAHAM INSTITUTE (GB) 2001-03-01 WO disclosed
US-5990094-A SEROTONIN N-ACETYLTRANSFERASE INHIBITORS WHICH CAN SERVE AS BIOLOGICAL TOOLS THAT HELP REVEAL BIOLOGICAL FUNCTIONS FOR MELATONIN AND PINEAL SEROTONIN IN VIVO; ACETYL-COA N-ACETYL TRYPTAMINE DERIVATIVES OF GIVEN STRUCTURE THE ROCKEFELLER UNIVERSITY (US) 1999-11-23 US disclosed
US-4051186-A AMINO-PROPRANOLOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1977-09-27 US disclosed
US-3950422-A 6-Amino-isoproterenol THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-04-13 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 (1 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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 HTR2C 185/4885CYP2D6 1088/4885KDM4E 2789/4885

“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.