SCHEMBL18324820

SCHEMBL18324820

CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
OPRK1 P41145 1/20 0.59
OPRL1 P41146 1/20 0.59
SLC6A4 P31645 1/20 0.53
HTR6 P50406 3/20 0.52
HTR1D P28221 4/20 0.50
HTR1B P28222 4/20 0.50
CTSS P25774 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
HTR1A P08908 3/20 0.48
HTR1F P30939 1/20 0.46
IDO1 P14902 2/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL18324824 0.90 SLC6A4 (0.53) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL18324717 0.86 HTR1D (0.51) HTR6HTR1DHTR1BCTSSCYP1A2
SCHEMBL18324762 0.85 OPRM1 (0.58) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL4674422 0.83 HTR1D (0.71) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL18324775 0.82 SLC6A4 (0.57) SLC6A4HTR6HTR1BHTR1A
SCHEMBL18324821 0.82 IDO1 (0.49) HTR6HTR1DHTR1BCTSSCYP1A2
SCHEMBL18324679 0.82 KDM4E (0.64) SLC6A4
SCHEMBL18324831 0.81 PRKAB2 (0.44) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL18324823 0.81 IDO1 (0.48) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL11427197 0.80 KDM4E (0.69) OPRM1OPRK1OPRL1SLC6A4HTR6

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 5 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-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 OPRM1 52/4885OPRK1 67/4885OPRL1 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.