SCHEMBL19256695

SCHEMBL19256695

Cc1cn(C)nc1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA6 Q16445 4/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL31336627 0.83 KMT2A (0.48) MAPTCASP3KMT2ASENP8SENP7
SCHEMBL19207048 0.81 HTR2A (0.37) CYP2C9CYP2C19MAPTCASP3KMT2A
SCHEMBL31336757 0.81 ALDH1A1 (0.45) MAPTKMT2AALDH1A1GAALMNA
SCHEMBL2210341 0.80 CNR2 (0.47) NPSR1MAPTCASP3KMT2ASENP8
SCHEMBL19207086 0.80 GABRA1 (0.35) CYP2C9CYP2C19MAPTCASP3KMT2A
SCHEMBL24380970 0.79
SCHEMBL2516609 0.77 ADORA2A (0.55) CYP2C19NPSR1KMT2AALDH1A1CYP1A2
SCHEMBL23367065 0.76 KDM4E (0.40) MAPTKMT2AALDH1A1ADORA3ADORA2A
SCHEMBL24536370 0.76 GAA (0.44) CYP2C9CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL631704 0.74 KDM4E (0.39) MAPTCASP3KMT2ASENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 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 (3 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-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 CYP2C9 2989/4885CYP2C19 1500/4885NPSR1 4/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 CYP2C9 2989/4885CYP2C19 1500/4885NPSR1 4/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 CYP2C9 2989/4885CYP2C19 1500/4885NPSR1 4/4885

“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.