SCHEMBL5584560

SCHEMBL5584560

c1cc2c(cc1C1CCNCC1)SCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.47
HTR6 P50406 3/20 0.43
HTR2C P28335 8/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD3 P35462 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
TLR9 Q9NR96 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTR3A P46098 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5584902 0.87 QDPR (0.47) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL5584794 0.81
SCHEMBL5585026 0.73 QDPR (0.53) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL5584964 0.73 QDPR (0.53) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL5584216 0.72
SCHEMBL22324807 0.69 QDPR (0.49) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL5584682 0.68 QDPR (0.47) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL5584309 0.68 SLC5A2 (0.32)
SCHEMBL24067500 0.67 SLC18A3 (0.64) QDPRHTR2CSLC18A3SIGMAR1GABRA1
SCHEMBL23411150 0.67 QDPR (0.54) QDPRHTR6HTR2CSLC18A3SIGMAR1

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 214/4885HTR6 12/4885HTR2C 9/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885HTR6 12/4885HTR2C 9/4885

“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.