SCHEMBL5584545

SCHEMBL5584545

c1cc2ccc(C3CCNCC3)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.51
HTR2C P28335 8/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AHR P35869 3/20 0.44
CMA1 P23946 1/20 0.44
TYR P14679 1/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL15566771 0.89 AHR (0.50) AHRCMA1TYRSLC6A2SLC6A4
SCHEMBL3956097 0.88 SLC6A2 (0.50) QDPRHTR2CSLC18A3SIGMAR1AHR
Hydrochloric Acid SCHEMBL28061431 0.86 SLC6A2 (0.49) QDPRHTR2CSLC18A3SIGMAR1AHR
SCHEMBL5584543 0.81 AHR (0.43) AHRCMA1TYRSLC6A2SLC6A4
SCHEMBL12455980 0.78 HTR3A (0.49) QDPRAHRTLR9TLR8TLR7
SCHEMBL17913415 0.76 AHR (0.46) AHRCMA1TYRSLC6A2SLC6A4
SCHEMBL18000304 0.76 AHR (0.48) AHRSLC6A2SLC6A4CYP2A6
SCHEMBL23010844 0.75 QDPR (0.51) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL22437847 0.74 TLR9 (0.69) TLR9TLR8TLR7
SCHEMBL2707542 0.74 SLC18A3 (0.59) QDPRHTR2CSLC18A3SIGMAR1SLC6A2

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