SCHEMBL5584880

SCHEMBL5584880

CC(C)Oc1ccc(C2CCNCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.45
CSNK2A1 P68400 2/20 0.44
INSR P06213 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALK Q9UM73 1/20 0.44
QDPR P09417 1/20 0.44
S1PR1 P21453 2/20 0.44
HTR2C P28335 4/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
JAK2 O60674 1/20 0.43
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 3/20 0.42
HTR1A P08908 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL5584592 0.83 HTR2A (0.54) SLC6A4QDPRHTR2CTLR9TLR7
SCHEMBL4892069 0.80 SLC6A4 (0.44) SLC6A4CSNK2A1KCNH2S1PR1HTR2C
SCHEMBL4892063 0.80 SLC6A4 (0.44) SLC6A4CSNK2A1KCNH2S1PR1HTR2C
SCHEMBL4892079 0.80 SLC6A4 (0.44) SLC6A4CSNK2A1KCNH2S1PR1HTR2C
SCHEMBL12705397 0.79 QDPR (0.44) INSRKCNH2ALKQDPRHTR2C
SCHEMBL5584517 0.79 ALDH1A1 (0.45) SLC6A4ALKQDPRHTR2CTLR9
SCHEMBL2711302 0.76 SLC6A2 (0.64) SLC6A4KCNH2QDPRHTR2CSLC6A3
SCHEMBL8640746 0.75 HTR2A (0.66) SLC6A4KCNH2HTR2CSLC6A3SLC6A2
SCHEMBL14999422 0.74 TSHR (0.54) QDPRHTR2CHTR3A
SCHEMBL5585044 0.74 SLC6A2 (0.58) SLC6A4KCNH2QDPRHTR2CTLR9

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 4 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
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

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 SLC6A4 10/4885CSNK2A1 1511/4885INSR 1379/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A4 10/4885CSNK2A1 1511/4885INSR 1379/4885

“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.