SCHEMBL5585111

SCHEMBL5585111

c1cc2c(cc1C1CC[N]CC1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
MGLL Q99685 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER2 P43116 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL31290248 0.86 ALDH1A1 (0.41) ALDH1A1EPHX2MGLLCA12CA1
SCHEMBL3539834 0.86 MGLL (0.33) ALDH1A1EPHX2MGLLKMT2AMEN1
SCHEMBL10879536 0.82 EPHX2 (0.49) ALDH1A1EPHX2CA12CA1CA2
SCHEMBL5584705 0.80 EPHX2 (0.31) EPHX2QDPR
SCHEMBL9746450 0.79 EPHX2 (0.49) EPHX2KMT2ATDP1RAB9ABACE1
SCHEMBL5584937 0.78
SCHEMBL5585026 0.78 QDPR (0.53) QDPR
SCHEMBL5584669 0.77 SLC5A2 (0.34) EPHX2
SCHEMBL5584790 0.77 L3MBTL1 (0.36)
SCHEMBL5584639 0.77 NOTUM (0.40)

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 ALDH1A1 443/4885EPHX2 3307/4885MGLL 4649/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885EPHX2 3307/4885MGLL 4649/4885

“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.