SCHEMBL5584630

SCHEMBL5584630

c1cc2c(cc1C1CCNCC1)OCCC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HTR2C P28335 8/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
HTR6 P50406 3/20 0.39
DRD3 P35462 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR3A P46098 1/20 0.36

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
SCHEMBL5584682 0.91 QDPR (0.47) QDPRL3MBTL1HTR2CSLC18A3SIGMAR1
SCHEMBL15839854 0.89 L3MBTL1 (0.41) L3MBTL1HTR2C
SCHEMBL5584643 0.88 QDPR (0.45) QDPRL3MBTL1HTR2CSLC18A3SIGMAR1
SCHEMBL5584790 0.82 L3MBTL1 (0.36) L3MBTL1HTR2C
SCHEMBL5584981 0.79 QDPR (0.51) QDPRL3MBTL1HTR2CSLC18A3SIGMAR1
SCHEMBL2711041 0.78 QDPR (0.47) QDPRL3MBTL1HTR2CSLC18A3SIGMAR1
SCHEMBL28526507 0.78 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11480538 0.78 EPHX2 (0.40) L3MBTL1
SCHEMBL5585026 0.77 QDPR (0.53) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL5584964 0.77 QDPR (0.53) 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 8 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
CN-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN 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
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN 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 214/4885L3MBTL1 4295/4885HTR2C 9/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885L3MBTL1 4295/4885HTR2C 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.