SCHEMBL6017110

SCHEMBL6017110

CNC(=O)c1cc2c(N3CCNCC3)cccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
SLC6A4 P31645 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.43
HTR5A P47898 2/20 0.43
HTR6 P50406 4/20 0.43
HTR2A P28223 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR7 P34969 1/20 0.43
MTOR P42345 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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 SCHEMBL8551558 0.98 HTR1A (0.55) HTR1ASLC6A4L3MBTL1HTR5AHTR6
SCHEMBL17996840 0.85 HTR5A (0.47) HTR1ASLC6A4HTR5AHTR6HTR2A
Hydrochloric Acid SCHEMBL17996835 0.84 ALDH1A1 (0.48) HTR1ASLC6A4HTR5AHTR6HTR2A
Hydrochloric Acid SCHEMBL6439780 0.81 HTR1A (0.64) HTR1ASLC6A4HTR2ADRD2KDM4E
SCHEMBL8548654 0.80 MAPT (0.43) HTR1ASLC6A4HTR5AHTR6HTR2A
Hydrochloric Acid SCHEMBL8548772 0.79 MAPT (0.43) HTR1ASLC6A4HTR5AHTR6HTR2A
SCHEMBL6017392 0.78 HTR1A (0.71) HTR1ASLC6A4HTR6HTR2AHTR1D
Hydrochloric Acid SCHEMBL8547734 0.77 HTR1A (0.70) HTR1ASLC6A4HTR6HTR2AHTR1D
SCHEMBL17081004 0.73 ADRB1 (0.51) HTR1ASLC6A4HTR5AHTR6HTR2A
SCHEMBL30839758 0.73 ADRB1 (0.51) HTR1ASLC6A4HTR5AHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 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 4/4885SLC6A4 27/4885L3MBTL1 4676/4885
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 6/4885SLC6A4 34/4885L3MBTL1 4317/4885

“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.