SCHEMBL4296293

SCHEMBL4296293

CC1CCN(CCC2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 19/20 1.00
HTR1D P28221 7/20 1.00
DRD3 P35462 7/20 1.00
HTR1A P08908 7/20 1.00
DRD2 P14416 7/20 1.00
HTR1B P28222 6/20 1.00
HTR2B P41595 4/20 1.00
ADRA1B P35368 2/20 1.00
HTR2A P28223 2/20 1.00
HTR2C P28335 1/20 1.00
HTR6 P50406 3/20 0.61
CYP2D6 P10635 2/20 0.61
HTR5A P47898 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP1A2 P05177 1/20 0.61
HTR4 Q13639 1/20 0.61
TMEM97 Q5BJF2 2/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60

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
SCHEMBL3827869 1.00 HTR7 (1.00) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL3825498 0.97 HTR7 (1.00) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL8308503 0.88 HTR7 (0.84) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL6968795 0.85 HTR7 (0.74) HTR7HTR1DDRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL14893192 0.83 HTR7 (0.72) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL7967497 0.82 HTR7 (0.74) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL14117920 0.82 HTR7 (0.77) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL3825266 0.78 HTR7 (0.69) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL6964528 0.78 HTR7 (0.69) HTR7HTR1DDRD3HTR1ADRD2
SCHEMBL6971695 0.78 HTR7 (0.68) HTR7HTR1DDRD3HTR1ADRD2

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-20090270455-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2009-10-29 US claimed
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2005-07-07 US claimed
EP-1541172-A1 REMEDY FOR INTESTINAL DISEASES AND VISCERAL PAIN Ajinomoto Co., Inc. (JP) 2005-06-15 EP claimed
US-20090270455-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2009-10-29 US disclosed
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2005-07-07 US disclosed
EP-1541172-A1 REMEDY FOR INTESTINAL DISEASES AND VISCERAL PAIN Ajinomoto Co., Inc. (JP) 2005-06-15 EP disclosed
EP-0912512-B1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-04-02 EP disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 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-20090270455-A1 Therapeutic agent for intestinal diseases and visceral pain VIP, VIPR2, GPR17 HTR7 6/4885HTR1D 160/4885DRD3 1845/4885
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain VIP, VIPR2, GPR17 HTR7 6/4885HTR1D 160/4885DRD3 1845/4885

“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.