SCHEMBL5584631

SCHEMBL5584631

c1cc2cc(C3CCNCC3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.49
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTR2C P28335 8/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 2/20 0.42
DYRK1A Q13627 3/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
HIPK3 Q9H422 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
SCHEMBL15543152 0.87 QDPR (0.49) QDPRBCHEACHEHTR2CSLC18A3
SCHEMBL1602425 0.84 SLC6A2 (0.43) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL1602109 0.83 BACE1 (0.45) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL1601431 0.81 SLC6A2 (0.41) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL5584481 0.80 DYRK1A (0.40) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL11337704 0.74 HTR2C (0.53) QDPRBCHEACHEHTR2CSLC18A3
SCHEMBL28508199 0.74 L3MBTL1 (0.50) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL1602636 0.72 NPC1 (0.42) TLR8TLR7SLC6A2SLC6A4SLC6A3
SCHEMBL2707542 0.72 SLC18A3 (0.59) QDPRBCHEACHEHTR2CSLC18A3
SCHEMBL8476987 0.72 SLC6A2 (0.43) ACHECYP2A6DYRK1ASLC6A2SLC6A4

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 7 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
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO 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 214/4885BCHE 4079/4885ACHE 714/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885BCHE 4079/4885ACHE 714/4885

“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.