SCHEMBL17872003

SCHEMBL17872003

CC(C)(C)OC(=O)CCc1c[nH]c2ccc(N)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.66
HPGD P15428 1/20 0.66
HTR1D P28221 8/20 0.48
HTR1B P28222 6/20 0.48
HTR1A P08908 6/20 0.48
MPO P05164 3/20 0.48
HTR7 P34969 4/20 0.46
CYP1A2 P05177 4/20 0.46
HTR2C P28335 4/20 0.46
TSHR P16473 3/20 0.46
HTR6 P50406 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR5A P47898 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C9 P11712 2/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2A P28223 4/20 0.44
MAPT P10636 4/20 0.44
HTR4 Q13639 2/20 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
SCHEMBL6120510 0.87 HPGD (0.54) CYP2C19HPGDHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL17871843 0.84 HTR1A (0.48) CYP2C19HPGDHTR1DHTR1BHTR1A
SCHEMBL17871922 0.82 SLC6A4 (0.54) SLC6A4
SCHEMBL2544150 0.82 HPGD (0.55) CYP2C19HPGDHTR1AMPOCYP1A2
SCHEMBL17871852 0.82 HPGD (0.49) CYP2C19HPGDHTR1DHTR1BHTR1A
SCHEMBL5737020 0.82 MAPT (0.63) CYP2C19CYP1A2TSHRMEN1KMT2A
SCHEMBL1998690 0.81 HPGD (0.54) CYP2C19HPGDHTR1DHTR1BHTR1A
Water SCHEMBL20906670 0.81 MAPT (0.62) CYP2C19CYP1A2TSHRMEN1KMT2A
SCHEMBL1519943 0.80 CYP2C19 (1.00) CYP2C19HPGDHTR1DHTR1BHTR1A
SCHEMBL17871714 0.79 PKM (0.49) CYP2C19HPGDHTR1DHTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA CYP2C19 2365/4885HPGD 1011/4885HTR1D 4217/4885

“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.