SCHEMBL18614976

SCHEMBL18614976

Nc1n[nH]c(C(CCCOC2CCCCO2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TACR1 P25103 2/20 0.32
CHEK1 O14757 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
SCHEMBL21374325 0.84 KDM4C (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL28678179 0.74 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1TACR1
SCHEMBL21326191 0.74 MEN1 (0.35) MEN1KMT2AKDM4CL3MBTL1TACR1
SCHEMBL18636430 0.73 MEN1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18614980 0.71 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1TACR1
SCHEMBL18614963 0.69 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21217168 0.65 KDM4C (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21659773 0.65 KDM4C (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21217167 0.63 KDM4C (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18615095 0.62

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 1370/4885KDM4C 3966/4885
US-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 MEN1 2472/4885KMT2A 1370/4885KDM4C 3966/4885

“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.