SCHEMBL4308805

SCHEMBL4308805

Clc1ccc(OCCOc2nc3ccccc3nc2N2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HRH4 Q9H3N8 12/20 0.54
HTR2C P28335 1/20 0.47
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LTA4H P09960 2/20 0.43
HTR3A P46098 1/20 0.42

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
SCHEMBL4315093 0.90 TSHR (0.73) TSHRHSD17B10HRH4HTR2CMEN1
SCHEMBL4313523 0.86 HSD17B10 (0.57) TSHRHSD17B10HRH4HTR2CMEN1
SCHEMBL4313352 0.83 TSHR (0.57) TSHRHSD17B10HRH4MEN1POLB
SCHEMBL4308187 0.83 HTR2C (0.53) TSHRHSD17B10HRH4HTR2CMEN1
SCHEMBL4307776 0.81 TSHR (0.58) TSHRHSD17B10HRH4MEN1POLB
SCHEMBL6046292 0.80 HTR2C (0.48) HTR2CLTA4HHTR3A
SCHEMBL4314566 0.77 TSHR (0.52) TSHRHSD17B10HRH4MEN1POLB
SCHEMBL4311853 0.77 TSHR (0.54) TSHRHSD17B10HRH4HTR2CLTA4H
SCHEMBL4311478 0.76 HTR2C (0.45) HTR2CLTA4HHTR3A
SCHEMBL4321095 0.76 TSHR (0.46) TSHRHSD17B10HRH4HTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US claimed
US-7524590-B2 Methods for storing holographic data and articles having enhanced data storage lifetime derived therefrom GENERAL ELECTRIC COMPANY (US) 2009-04-28 US claimed
WO-2007067670-A2 METHODS FOR STORING HOLOGRAPHIC DATA AND ARTICLES HAVING ENHANCED DATA STORAGE LIFETIME DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2007-06-14 WO claimed
US-20070127329-A1 Methods for storing holographic data and articles having enhanced data storage lifetime derived therefrom GENERAL ELECTRIC COMPANY (US) 2007-06-07 US claimed
US-5639802-A PHOTOHARDENABLE PHOTOSENSITIVE COMPOSITIONS SPECTRA GROUP LIMITED, INC. (US) 1997-06-17 US claimed
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-06-06 US disclosed
US-20230137820-A1 PHOSPHORESCENT aNHC-BASED PLATINUM (II) COMPLEXES Technische Universität Dresden (DE) 2023-05-04 US disclosed
EP-3717495-B1 PHOSPHORESCENT PLATINUM (II) ANHC COMPLEXES UNIV DRESDEN TECH (DE) 2021-12-29 EP disclosed
US-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
EP-3717495-A1 PHOSPHORESCENT PLATINUM (II) ANHC COMPLEXES Technische Universität Dresden (DE) 2020-10-07 EP disclosed
WO-2019217421-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 THE SCRIPPS RESEARCH INSTITUTE (US) 2019-11-14 WO disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed
EP-0408227-A1 Photohardenable or photosoftenable compositions THE MEAD CORPORATION (US) 1991-01-16 EP 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A TSHR 457/4885HSD17B10 524/4885HRH4 219/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A TSHR 531/4885HSD17B10 475/4885HRH4 213/4885
US-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 CDK12, CDK1, CDK13 TSHR 3554/4885HSD17B10 2251/4885HRH4 4493/4885
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 CDK12, CDK1, CDK13 TSHR 3554/4885HSD17B10 2251/4885HRH4 4493/4885
US-20230137820-A1 PHOSPHORESCENT aNHC-BASED PLATINUM (II) COMPLEXES NDC1, ORC3, NUDC TSHR 4255/4885HSD17B10 1084/4885HRH4 64/4885

“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.