SCHEMBL23639367

SCHEMBL23639367

Cc1ccc(-n2nccn2)c(C(=O)N2CC(F)(F)CC(C)[C@H]2CNc2cnc(C(F)(F)F)cn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 1.00
HCRTR2 O43614 3/20 0.73

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
SCHEMBL19256160 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256148 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20989534 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256631 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL24381119 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL19256303 0.87 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256314 0.87 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19207059 0.85 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL19256409 0.85 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL19256623 0.84 HCRTR1 (1.00) HCRTR1HCRTR2

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 1 patent. 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

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-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885HCRTR2 1/4885

“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.