SCHEMBL18970465

SCHEMBL18970465

Cc1cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3N)c(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
TTR P02766 1/20 0.32
POLB P06746 1/20 0.31
CHRM4 P08173 1/20 0.31
JAK2 O60674 1/20 0.30
ABL1 P00519 1/20 0.30
KDR P35968 1/20 0.30
STAT3 P40763 1/20 0.30
GSK3B P49841 1/20 0.30
AURKB Q96GD4 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
FFAR4 Q5NUL3 1/20 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
SCHEMBL20609187 1.00 KDM4E (0.35) KDM4EHTTPRKCAPRKCQTTR
SCHEMBL20609185 1.00 KDM4E (0.35) KDM4EHTTPRKCAPRKCQTTR
SCHEMBL22428756 1.00 KDM4E (0.35) KDM4EHTTPRKCAPRKCQTTR
SCHEMBL20609233 1.00 KDM4E (0.35) KDM4EHTTPRKCAPRKCQTTR
SCHEMBL18952562 0.82 CHRNB2 (0.36) KDM4EHTTPRKCAPRKCQCHRM4
SCHEMBL21726801 0.82 CHRNB2 (0.36) KDM4EHTTPRKCAPRKCQCHRM4
SCHEMBL18952560 0.82 CHRNB2 (0.36) KDM4EHTTPRKCAPRKCQCHRM4
SCHEMBL23492669 0.79 TTR (0.37) TTRCHRM4HCRTR1HCRTR2FFAR4
SCHEMBL23492666 0.79 TTR (0.37) TTRCHRM4HCRTR1HCRTR2FFAR4
SCHEMBL23492664 0.79 TTR (0.37) TTRCHRM4HCRTR1HCRTR2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 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 (5 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP KDM4E 4724/4885HTT 1/4885PRKCA 3263/4885
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 KDM4E 4135/4885HTT 4/4885PRKCA 1174/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 KDM4E 4135/4885HTT 4/4885PRKCA 1174/4885
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 KDM4E 4135/4885HTT 4/4885PRKCA 1174/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KDM4E 4678/4885HTT 1/4885PRKCA 2835/4885

“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.