SCHEMBL6017293

SCHEMBL6017293

Cc1ccc(CCN2CCN(c3cccc4sc(CO)cc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.49
DRD2 P14416 12/20 0.49
HTR2A P28223 12/20 0.49
SLC6A4 P31645 2/20 0.48
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
Hydrochloric Acid SCHEMBL8549807 0.99 HTR1A (0.48) HTR1ADRD2HTR2ASLC6A4CYP2C9
SCHEMBL8544808 0.90 MEN1 (0.51) HTR1ADRD2HTR2ASLC6A4CYP2C9
SCHEMBL6017224 0.89 HTR1A (0.49) HTR1ADRD2HTR2ASLC6A4
SCHEMBL6017171 0.89 HTR1A (0.54) HTR1ADRD2HTR2ASLC6A4CYP2C9
Hydrochloric Acid SCHEMBL6017322 0.89 CYP2C9 (0.50) HTR1ADRD2HTR2ASLC6A4CYP2C9
SCHEMBL6017321 0.89 ADRA1D (0.53) HTR1ADRD2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL8550084 0.88 HTR1A (0.48) HTR1ADRD2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL8544922 0.88 HTR1A (0.53) HTR1ADRD2HTR2ASLC6A4CYP2C9
Hydrochloric Acid SCHEMBL8547643 0.88 ADRA1D (0.52) HTR1ADRD2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL9213475 0.84 KCNJ1 (0.52) HTR1ADRD2HTR2ASLC6A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425209-B1 Naphthyloxazolidone derivatives TANABE SEIYAKU CO (JP) 1995-05-10 EP claimed
EP-1660079-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-31 EP disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US disclosed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP disclosed
US-5436246-A Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension MERRELL DOW PHARMACEUTICALS INC. 1995-07-25 US disclosed
EP-0660832-A1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-05 EP disclosed
WO-1994006789-A1 SEROTONIN RECEPTOR AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-31 WO 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A HTR1A 4/4885DRD2 359/4885HTR2A 3/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A HTR1A 6/4885DRD2 327/4885HTR2A 3/4885

“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.