SCHEMBL5584964

SCHEMBL5584964

c1cc2c(cc1C1CCNCC1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.53
HTR2C P28335 9/20 0.47
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR6 P50406 3/20 0.47
DRD3 P35462 1/20 0.44
HTR3A P46098 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5585026 0.96 QDPR (0.53) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL1363874 0.91 HTR3A (0.53) QDPRHTR6DRD3HTR3AHTR2A
SCHEMBL9746450 0.82 EPHX2 (0.49)
SCHEMBL31290248 0.82 ALDH1A1 (0.41) QDPR
SCHEMBL5456534 0.81 HRH3 (0.62) QDPRHTR6DRD3HRH3
SCHEMBL5456547 0.81 HRH3 (0.59) QDPRSLC18A3HTR6DRD3HRH3
SCHEMBL10879536 0.79 EPHX2 (0.49)
SCHEMBL23917459 0.78 KDM4C (0.39) HRH3
SCHEMBL5584643 0.77 QDPR (0.45) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL5584630 0.77 QDPR (0.45) QDPRHTR2CSLC18A3SIGMAR1HTR6

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 9 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO 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 (3 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
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 QDPR 658/4885HTR2C 1120/4885SLC18A3 2733/4885

“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.