SCHEMBL19256062

SCHEMBL19256062

COc1nc(NCC2NCC(F)(F)C[C@H]2C)ncc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.46
HCRTR2 O43614 1/20 0.46
KDR P35968 3/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
LRRK2 Q5S007 4/20 0.39
CDK2 P24941 2/20 0.32
ULK1 O75385 2/20 0.32
CDK1 P06493 2/20 0.32

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
SCHEMBL19207166 1.00 HCRTR1 (0.46) HCRTR1HCRTR2KDRAURKAAURKB
SCHEMBL19256063 1.00 HCRTR1 (0.46) HCRTR1HCRTR2KDRAURKAAURKB
SCHEMBL19256523 0.80 HCRTR1 (0.44) HCRTR1
SCHEMBL19256528 0.80 HCRTR1 (0.44) HCRTR1
SCHEMBL19256527 0.80 HCRTR1 (0.44) HCRTR1
Bromide SCHEMBL19207100 0.79 HCRTR1 (0.44) HCRTR1
SCHEMBL24381383 0.79 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL19256525 0.76 HCRTR1 (0.42) HCRTR1
SCHEMBL19207012 0.76 HCRTR1 (0.42) HCRTR1
SCHEMBL24381394 0.76 HCRTR1 (0.42) 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 3 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

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 1/4885KDR 1235/4885

“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.