SCHEMBL5584460

SCHEMBL5584460

COc1ccc(C2CCN(C[C@H](O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.45
SLC6A4 P31645 4/20 0.45
CCR1 P32246 1/20 0.42
DRD4 P21917 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5584819 0.95 HTR1A (0.44) HTR1ASLC6A4CCR1LMNA
SCHEMBL14571640 0.94 CCR1 (0.43) HTR1ASLC6A4CCR1DRD4
Hydrochloric Acid SCHEMBL5584624 0.93 CCR1 (0.43) HTR1ASLC6A4CCR1LMNAMAPT
SCHEMBL5584250 0.93 CCR1 (0.44) HTR1ASLC6A4CCR1MAPT
SCHEMBL14571538 0.91 CCR1 (0.42) HTR1ASLC6A4CCR1DRD4LMNA
SCHEMBL14571590 0.91 DRD4 (0.47) HTR1ASLC6A4CCR1DRD4LMNA
SCHEMBL14571711 0.91 HTR1A (0.47) HTR1ASLC6A4CCR1DRD4NR1I2
SCHEMBL5584776 0.91 HTR1A (0.48) HTR1ASLC6A4CCR1DRD4
SCHEMBL5585011 0.91 CCR1 (0.42) HTR1ASLC6A4CCR1DRD4LMNA
SCHEMBL14571549 0.90 KCNH2 (0.47) HTR1ACCR1DRD4LMNADRD2

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 8 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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 HTR1A 1/4885SLC6A4 10/4885CCR1 2772/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A4 10/4885CCR1 2772/4885

“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.