SCHEMBL18488357

SCHEMBL18488357

CC(C)(C)OC(=O)N1CC2CCN(c3c(F)cc(F)cc3F)C2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.52
GPR119 Q8TDV5 7/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
LIPE Q05469 2/20 0.41
BTK Q06187 2/20 0.41
NR1H2 P55055 1/20 0.40
DPP4 P27487 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20450771 0.85 CHRM1 (0.49) HDAC1HDAC2BTK
SCHEMBL4259531 0.79 USP30 (0.53) USP30GPR119HDAC1HDAC2LIPE
SCHEMBL2879399 0.79 USP30 (0.53) USP30GPR119HDAC1HDAC2LIPE
SCHEMBL5388332 0.77 HDAC6 (0.47) USP30GPR119HDAC1HDAC2DPP4
SCHEMBL20450766 0.76 GPR119 (0.50) USP30GPR119LIPE
SCHEMBL20953731 0.76 NR1H2 (0.51) USP30GPR119LIPENR1H2SMN1; SMN2
SCHEMBL2065039 0.75 USP30 (0.45) USP30GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL2065268 0.75 USP30 (0.45) USP30GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL2065041 0.75 USP30 (0.45) USP30GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL2884981 0.75 GPR119 (0.52) USP30GPR119LIPENR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 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-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 USP30 2132/4885GPR119 147/4885HDAC1 864/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 USP30 2193/4885GPR119 146/4885HDAC1 793/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 USP30 2334/4885GPR119 243/4885HDAC1 1760/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 USP30 1735/4885GPR119 196/4885HDAC1 1384/4885

“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.