SCHEMBL5584589

SCHEMBL5584589

COc1ccc(C2CC[N]CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
QDPR P09417 1/20 0.40
TP53 P04637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 2/20 0.39
HTR1E P28566 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
HTR3A P46098 2/20 0.39
HTR5A P47898 2/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2C P28335 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL25309520 0.88 QDPR (0.45) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5584959 0.87 QDPR (0.43) NR3C1QDPRTP53PDE4APDE4B
SCHEMBL5541913 0.85 NR3C1 (0.59) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5584588 0.82 NR3C1 (0.43) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL28706020 0.82 PDE4B (0.43) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL28710853 0.81 MRGPRX4 (0.40) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5584592 0.81 HTR2A (0.54) QDPRPDE4BHTR1AHTR1DHTR1B
SCHEMBL30866466 0.79 PDE4A (0.62) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL20010700 0.79 PDE4A (0.62) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL23605689 0.79 QDPR (0.64) QDPRTP53HTR1AHTR1DHTR1B

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 NR3C1 157/4885QDPR 214/4885TP53 3781/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NR3C1 157/4885QDPR 214/4885TP53 3781/4885

“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.