SCHEMBL18614980

SCHEMBL18614980

NNC(=O)C(CCCOC1CCCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 6/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.33
TACR1 P25103 3/20 0.33
IDH2 P48735 2/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL21326189 0.89 MEN1 (0.41) MEN1KMT2AKDM4EMAPTEPHX1
SCHEMBL28678179 0.88 MEN1 (0.47) MEN1KMT2ACCR2KDM4EMAPT
SCHEMBL18614963 0.84 MEN1 (0.41) MEN1KMT2AKDM4EMAPTEPHX1
SCHEMBL21886901 0.83 MEN1 (0.49) MEN1KMT2AKDM4C
SCHEMBL21374326 0.81 MEN1 (0.49) MEN1KMT2AKDM4C
SCHEMBL18636430 0.78 MEN1 (0.40) MEN1KMT2AKDM4EMAPTTACR1
SCHEMBL21326182 0.76 CHRM2 (0.43) MEN1KMT2AMAPTEPHX1LMNA
SCHEMBL22494473 0.75 MEN1 (0.43) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL18614976 0.71 MEN1 (0.35) MEN1KMT2ATACR1L3MBTL1KDM4C
SCHEMBL21886902 0.70 SLC6A3 (0.53) MEN1KMT2ALMNAKDM4CTSHR

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
CN-107922437-B Bridged piperidine derivatives 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US disclosed
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US disclosed
US-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
EP-3347363-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
WO-2017042114-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
WO-2017042114-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 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 (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-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 MEN1 2472/4885KMT2A 1370/4885CCR2 881/4885
US-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 MEN1 2472/4885KMT2A 1370/4885CCR2 881/4885

“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.