SCHEMBL5584693

SCHEMBL5584693

Cc1ccc(C2CCNCC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.54
QDPR P09417 1/20 0.51
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TLR9 Q9NR96 5/20 0.44
TLR8 Q9NR97 5/20 0.44
TLR7 Q9NYK1 5/20 0.44
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
KCNH2 Q12809 1/20 0.42
TNKS2 Q9H2K2 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
SCHEMBL13698222 0.90 HTR3A (0.50) HTR2CKCNH2
SCHEMBL15247784 0.87 SLC6A3 (0.43) HTR2C
SCHEMBL2708481 0.86 HTR2C (0.54) HTR2CQDPRSLC18A3SIGMAR1TLR9
SCHEMBL18831900 0.84 HTR2C (0.40) HTR2CQDPRTLR9TLR8TLR7
SCHEMBL2709718 0.83 HTR2C (0.59) HTR2CQDPRSLC18A3SIGMAR1TLR9
SCHEMBL12806513 0.83 SLC6A3 (0.41)
SCHEMBL1765234 0.83 QDPR (0.56) HTR2CQDPRSLC18A3SIGMAR1TNKS
SCHEMBL13499937 0.83 SLC6A2 (0.41)
Hydrochloric Acid SCHEMBL4881862 0.81 HTR2C (0.61) HTR2CQDPRSLC18A3SIGMAR1TLR9
SCHEMBL11933082 0.81 ACMSD (0.41)

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 6 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
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 HTR2C 9/4885QDPR 214/4885SLC18A3 162/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885QDPR 214/4885SLC18A3 162/4885

“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.