SCHEMBL5584682

SCHEMBL5584682

c1cc2c(cc1C1CCNCC1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.47
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
HTR2C P28335 8/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 3/20 0.40
DRD3 P35462 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL5584630 0.91 QDPR (0.45) QDPRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2711041 0.87 QDPR (0.47) QDPRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11480538 0.83 EPHX2 (0.40) L3MBTL1
SCHEMBL5584981 0.81 QDPR (0.51) QDPRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5584342 0.81 CYP1A2 (0.36)
SCHEMBL5584643 0.78 QDPR (0.45) QDPRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15839854 0.78 L3MBTL1 (0.41) HTR2CL3MBTL1
SCHEMBL29497499 0.76 CYP1A2 (0.32) PIK3CAL3MBTL1
SCHEMBL21770130 0.75 L3MBTL1 (0.68) PIK3CDPIK3CAPIK3CBPIK3CGDRD3
SCHEMBL2711223 0.75 CYP2C19 (0.54) QDPRHTR2CSLC18A3SIGMAR1

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 214/4885PIK3CD 3375/4885PIK3CA 3501/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885PIK3CD 3375/4885PIK3CA 3501/4885

“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.