SCHEMBL5584524

SCHEMBL5584524

Cc1cc(C2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.56
TLR9 Q9NR96 13/20 0.56
TLR8 Q9NR97 13/20 0.56
HTR2C P28335 4/20 0.54
QDPR P09417 1/20 0.47
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL1550605 0.98 HTR2C (0.56) TLR7TLR9TLR8HTR2CQDPR
SCHEMBL20281434 0.90 TLR9 (0.48) TLR7TLR9TLR8HTR2C
SCHEMBL9277352 0.87 IDO1 (0.50) TLR7TLR9TLR8HTR2C
Trifluoroacetic Acid SCHEMBL31227651 0.86 TLR9 (0.47) TLR7TLR9TLR8HTR2C
SCHEMBL12093732 0.83 IDO1 (0.45) TLR7TLR9TLR8
SCHEMBL12093743 0.83 IDO1 (0.45) TLR7TLR9TLR8
SCHEMBL20031175 0.81 UHRF1 (0.43) TLR7TLR9TLR8
SCHEMBL22402327 0.81 IDO1 (0.44) TLR7TLR9TLR8
Cyanide SCHEMBL27912025 0.81 IDO1 (0.47) TLR7TLR9TLR8HTR2C
SCHEMBL20281875 0.81 HTR2A (0.48) TLR7TLR9TLR8

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-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (4 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A TLR7 1930/4885TLR9 3789/4885TLR8 4093/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 TLR7 4408/4885TLR9 4681/4885TLR8 4411/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C TLR7 279/4885TLR9 494/4885TLR8 578/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A TLR7 1930/4885TLR9 3789/4885TLR8 4093/4885

“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.