SCHEMBL19256386

SCHEMBL19256386

COc1nc(NCC2[C@H](C)CC(F)(F)CN2C(=O)c2nc(C)sc2-c2cccc(F)c2)ncc1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.79
HCRTR2 O43614 4/20 0.79

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
SCHEMBL24381511 1.00 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL24381408 1.00 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL19256375 1.00 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL24381485 0.94 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL19256389 0.94 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL19256381 0.94 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL19256380 0.94 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL19256390 0.94 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL19256393 0.93 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL19256385 0.93 HCRTR1 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia H. LUNDBECK A/S (DK) 2015-10-29 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 (2 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
US-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A HCRTR1 389/4885HCRTR2 155/4885

“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.