SCHEMBL18324979

SCHEMBL18324979

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.73
SLC6A4 P31645 4/20 0.51
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
HTR1A P08908 5/20 0.47
OPRL1 P41146 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL18325032 0.94 TDO2 (0.70) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL18324732 0.86 TDO2 (0.81) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL18324768 0.85 TDO2 (1.00) TDO2SLC6A4HTR1AOPRL1DRD2
SCHEMBL18324832 0.83 TDO2 (0.76) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL18324830 0.83 TDO2 (0.76) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL7865112 0.77 SLC6A4 (0.81) TDO2SLC6A4HTR1AHTR6KDM4E
SCHEMBL18324718 0.77 TDO2 (0.71) TDO2SLC6A4HTR1ADRD2HTR2A
SCHEMBL18324798 0.74 TDO2 (0.74) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL18324714 0.73 TDO2 (0.72) TDO2SLC6A4CCNT1CDK9HTR1A
SCHEMBL28097370 0.73 TDO2 (0.65) TDO2SLC6A4HTR1AOPRL1DRD2

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 3 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-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 73/4885CCNT1 2817/4885

“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.