SCHEMBL5584119

SCHEMBL5584119

COc1ccccc1C1=CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 4/20 0.42
APP P05067 1/20 0.41
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
METAP2 P50579 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
DCUN1D1 Q96GG9 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
SCHEMBL5584244 0.86 KDM4E (0.44) PTGS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5584724 0.81 CYP19A1 (0.40) ALDH1A1HPGDCA12CA1CA2
SCHEMBL3118899 0.80 DRD1 (0.40) KDM4ERAB9A
SCHEMBL1366838 0.77 NISCH (0.40) ALDH1A1HPGDSMN1; SMN2METAP2HTR7
SCHEMBL1363866 0.74 CYP2A6 (0.38) ALDH1A1HPGDSMN1; SMN2HTR7KDM4E
SCHEMBL1365380 0.74 NISCH (0.40) ALDH1A1HTR7KDM4EDCUN1D1L3MBTL1
SCHEMBL28299862 0.73 PTGS2 (0.44) PTGS2ALDH1A1APPHPGDSMN1; SMN2
SCHEMBL8586239 0.72 PTGS2 (0.48) PTGS2ALDH1A1APPHPGDCA12
SCHEMBL5585401 0.72 PDE4B (0.46) PTGS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5584218 0.71 NISCH (0.42) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA

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 PTGS2 1437/4885ALDH1A1 443/4885APP 3058/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PTGS2 1437/4885ALDH1A1 443/4885APP 3058/4885

“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.