SCHEMBL4298542

SCHEMBL4298542

CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 18/20 1.00
▸ HTR1B P28222 6/20 1.00
▸ DRD3 P35462 6/20 1.00
▸ HTR1A P08908 5/20 1.00
▸ DRD2 P14416 5/20 1.00
▸ HTR1D P28221 5/20 1.00
▸ HTR6 P50406 2/20 1.00
▸ CYP2D6 P10635 2/20 0.77
▸ HTR5A P47898 2/20 0.77
▸ HTR2B P41595 2/20 0.77
▸ CYP3A4 P08684 1/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ HTR4 Q13639 1/20 0.77
▸ TMEM97 Q5BJF2 2/20 0.76
▸ ADRA2A P08913 1/20 0.76
▸ ADRA2B P18089 1/20 0.76
▸ ADRA2C P18825 1/20 0.76
▸ OPRM1 P35372 1/20 0.76
▸ OPRK1 P41145 1/20 0.76
▸ BLM P54132 1/20 0.76

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
SCHEMBL4298546 1.00 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
Sb-258741 SCHEMBL4459020 0.88 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
Sb-258741 SCHEMBL4454954 0.88 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL375474 0.87 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL5809435 0.87 HTR7 (0.78) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL375475 0.87 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL14117920 0.86 HTR7 (0.77) HTR7HTR1BDRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL2719588 0.86 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL2719586 0.86 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL18707204 0.81 HTR7 (0.67) HTR7HTR1BDRD3HTR1ADRD2

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-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

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 6/4885HTR1B 164/4885DRD3 1845/4885
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain VIP, VIPR2, GPR17 HTR7 6/4885HTR1B 164/4885DRD3 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.

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