SCHEMBL18324768

SCHEMBL18324768

NS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 12/20 1.00
SLC6A4 P31645 3/20 0.54
OPRL1 P41146 1/20 0.51
HTR1A P08908 2/20 0.49
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL18324732 0.89 TDO2 (0.81) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18324832 0.86 TDO2 (0.76) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18324830 0.86 TDO2 (0.76) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18324979 0.85 TDO2 (0.73) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18325032 0.83 TDO2 (0.70) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18324767 0.83 TDO2 (0.79) TDO2SLC6A4HTR1ADRD2
SCHEMBL7865112 0.80 SLC6A4 (0.81) TDO2SLC6A4HTR1A
SCHEMBL18324718 0.80 TDO2 (0.71) TDO2SLC6A4HTR1ADRD2
SCHEMBL28097370 0.79 TDO2 (0.65) TDO2SLC6A4OPRL1HTR1ADRD2
SCHEMBL18324798 0.77 TDO2 (0.74) TDO2SLC6A4HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082802-B1 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE IOMET PHARMA LTD (GB) 2020-02-26 EP disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20170009271-A1 Screening Method IOMET PHARMA LTD. (GB) 2017-01-12 US disclosed
US-20170009271-A1 Screening Method IOMET PHARMA LTD. (GB) 2017-01-12 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 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 (1 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 TDO2 1/4885SLC6A4 73/4885OPRL1 192/4885

“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.