SCHEMBL5584986

SCHEMBL5584986

COc1cc(C2CC[N]CC2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.53
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
ACHE P22303 3/20 0.46
PTPN1 P18031 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA9 Q16790 1/20 0.41
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41

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
SCHEMBL29267402 0.86 PTAFR (0.62) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL1363978 0.81 PTAFR (0.33) PTAFRMAPTTSHRALDH1A1NPC1
SCHEMBL11763395 0.81 PTAFR (0.56) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL5541913 0.80 NR3C1 (0.59) PTAFR
SCHEMBL9719080 0.79 PTAFR (0.58) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL10641459 0.79 PTAFR (0.58) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL9719087 0.79 PTAFR (0.58) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL5584988 0.78 TGFBR1 (0.56) PTAFRMAPTTSHRACHEPTPN1
SCHEMBL5584969 0.77 ALDH1A1 (0.44) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL22048045 0.76 PDE4A (0.56) PTAFRMAPTTSHRACHEPTPN1

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-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
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 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 PTAFR 2397/4885MAPT 949/4885TSHR 1072/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PTAFR 2397/4885MAPT 949/4885TSHR 1072/4885

“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.