SCHEMBL19207101

SCHEMBL19207101

CC1CC(F)(F)CNC1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.32
GRM3 Q14832 3/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 2/20 0.32
SLC1A2 P43004 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
APLNR P35414 1/20 0.30
GRM6 O15303 2/20 0.30

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
SCHEMBL19256438 0.80 ALDH1A1 (0.32)
SCHEMBL19388955 0.78 APLNR (0.40) GRM2GRM3CYP1A2ALOX15SLC1A2
SCHEMBL2173741 0.75 SLC1A2 (0.33) SLC1A2MEN1KMT2A
Acetic Acid SCHEMBL28036317 0.72 ALPL (0.34)
SCHEMBL40623 0.71 CYP1A2 (0.53) GRM2GRM3CYP1A2ALOX15SLC1A2
SCHEMBL3145095 0.71 CYP1A2 (0.53) GRM2GRM3CYP1A2ALOX15SLC1A2
SCHEMBL40622 0.71 CYP1A2 (0.53) GRM2GRM3CYP1A2ALOX15SLC1A2
Chloromethane SCHEMBL22092026 0.71 CYP1A2 (0.48) GRM2GRM3CYP1A2ALOX15SLC1A2
SCHEMBL19256482 0.70 ALPL (0.30)
Hydrochloric Acid SCHEMBL1269592 0.69 CYP1A2 (0.52) GRM2GRM3CYP1A2ALOX15SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
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
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
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP 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 (4 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 GRM2 221/4885GRM3 209/4885CYP1A2 2948/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 GRM2 221/4885GRM3 209/4885CYP1A2 2948/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 GRM2 221/4885GRM3 209/4885CYP1A2 2948/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 GRM2 221/4885GRM3 209/4885CYP1A2 2948/4885

“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.