SCHEMBL17007247

SCHEMBL17007247

N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.56

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
SCHEMBL17007248 1.00 HCRTR1 (0.56) HCRTR1
SCHEMBL17028083 1.00 HCRTR1 (0.56) HCRTR1
Hydrochloric Acid SCHEMBL17007168 0.99 HCRTR1 (0.55) HCRTR1
Hydrochloric Acid SCHEMBL17028153 0.99 HCRTR1 (0.55) HCRTR1
Hydrochloric Acid SCHEMBL17007166 0.99 HCRTR1 (0.55) HCRTR1
SCHEMBL17021441 0.84 HCRTR1 (0.57) HCRTR1
SCHEMBL17007228 0.79 HCRTR1 (0.69) HCRTR1
SCHEMBL17017314 0.78 SYK (0.46)
SCHEMBL17007190 0.78 HCRTR1 (0.49) HCRTR1
SCHEMBL17021444 0.78 HCRTR1 (0.59) HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 HCRTR1 631/4885

“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.