SCHEMBL6774385

SCHEMBL6774385

[O-][S+](c1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.41
SLC6A3 Q01959 10/20 0.41
SLC6A4 P31645 9/20 0.41
HTR1A P08908 7/20 0.41
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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 SCHEMBL9041147 0.98 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR1AMKNK1
SCHEMBL20002871 0.89 HTR6 (0.36) SLC6A2SLC6A3SLC6A4HTR1A
Trifluoroacetic Acid SCHEMBL4771690 0.87 PRCP (0.39) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL5214386 0.81 SLC6A4 (0.33) SLC6A4
SCHEMBL10795562 0.81 SLC18A3 (0.45) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL15232332 0.79 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4
SCHEMBL10663730 0.78 MKNK1 (0.37) SLC6A2SLC6A3SLC6A4HTR1AMKNK1
SCHEMBL28867235 0.76 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL17373707 0.76 ADRB1 (0.45) SLC6A3HTR1A
SCHEMBL7800906 0.75 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR1AMKNK1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713634-B2 SEROTONIN RECEPTOR ANTAGONIST DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-30 US disclosed
US-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP disclosed
EP-0915881-B1 PYRROLOAZEPINE COMPOUNDS SUNTORY LTD (JP) 2003-01-08 EP disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
CN-1094126-C Pyrroloazepine compounds SUNTORY LTD (JP) 2002-11-13 CN disclosed
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 EP disclosed
EP-0749971-A1 Thiopyran derivatives SUNTORY LIMITED (JP) 1996-12-27 EP disclosed
CN-1119859-A benzothiazine derivatives SUNTORY LTD (JP) 1996-04-03 CN disclosed
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 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-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C SLC6A2 140/4885SLC6A3 286/4885SLC6A4 24/4885
US-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 SLC6A2 356/4885SLC6A3 1316/4885SLC6A4 169/4885

“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.