SCHEMBL5584458

SCHEMBL5584458

Cc1nnc(-c2cc3c(OCCCN4CCC(c5ccc6c(c5)OCO6)CC4)cccc3o2)o1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
OGA O60502 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL14571621 0.91 SIGMAR1 (0.39) SIGMAR1TLR9TLR7HRH3KCNH2
SCHEMBL14571630 0.90 SIGMAR1 (0.38) SIGMAR1TLR9TLR7HRH3KCNH2
SCHEMBL14571626 0.90 KCNH2 (0.39) SIGMAR1TLR9TLR7HTR1AHTR1D
Hydrochloric Acid SCHEMBL6210177 0.90 SIGMAR1 (0.38) SIGMAR1TLR9TLR7HRH3KCNH2
Hydrochloric Acid SCHEMBL6809871 0.89 SIGMAR1 (0.38) SIGMAR1TLR9TLR7HRH3KCNH2
Hydrochloric Acid SCHEMBL5584721 0.89 SIGMAR1 (0.38) SIGMAR1TLR9TLR7HRH3KCNH2
Hydrochloric Acid SCHEMBL5584130 0.89 KCNH2 (0.39) SIGMAR1TLR9TLR7HTR1AHTR1D
SCHEMBL14571615 0.89 DRD2 (0.45) SIGMAR1HRH3KCNH2
SCHEMBL5584963 0.89 SIGMAR1 (0.37) SIGMAR1TLR9TLR7KCNH2HTR4
Hydrochloric Acid SCHEMBL5584665 0.88 DRD2 (0.44) SIGMAR1HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 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 (2 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 SIGMAR1 50/4885TLR9 3789/4885TLR7 1930/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SIGMAR1 50/4885TLR9 3789/4885TLR7 1930/4885

“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.