SCHEMBL5584517

SCHEMBL5584517

CCOc1ccc(C2CCNCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
QDPR P09417 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
HTR2C P28335 4/20 0.43
ALK Q9UM73 1/20 0.43
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
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
TLR9 Q9NR96 2/20 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
SCHEMBL5584592 0.83 HTR2A (0.54) HTR1ASLC6A2SLC6A4QDPRHTR2C
SCHEMBL5584880 0.79 SLC6A4 (0.45) HTR1ASLC6A2SLC6A4QDPRHTR2C
SCHEMBL2711302 0.76 SLC6A2 (0.64) SLC6A2SLC6A4QDPRHTR2CHTR3A
SCHEMBL19703132 0.75 ADAM17 (0.49) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8640746 0.75 HTR2A (0.66) HTR1ASLC6A2SLC6A4HTR2CHTR1D
SCHEMBL14990606 0.74 MAOA (0.53) SLC6A2SLC6A4QDPRHTR2CSLC6A3
SCHEMBL5585044 0.74 SLC6A2 (0.58) SLC6A2SLC6A4QDPRHTR2CHTR3A
SCHEMBL9870226 0.74 PDE4A (0.52) ALDH1A1SMN1; SMN2PDE4AMAPTUSP2
Hydrochloric Acid SCHEMBL2160176 0.74 SLC6A2 (0.62) SLC6A2SLC6A4QDPRHTR2CHTR3A
SCHEMBL5584946 0.74 QDPR (0.47) HTR1ASLC6A2SLC6A4QDPRHTR2C

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 ALDH1A1 443/4885LMNA 3559/4885SMN1; SMN2 3563/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885LMNA 3559/4885SMN1; SMN2 3563/4885

“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.