SCHEMBL8267595

SCHEMBL8267595

COC(=O)C[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2Cl)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHR1 P34998 7/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL8268955 0.90 FFAR4 (0.38) SCN1ASCN4ASCN7ASCN5ASCN9A
SCHEMBL8268220 0.89 PPARD (0.36) RORCLMNA
SCHEMBL8269169 0.85 GPBAR1 (0.36) —
SCHEMBL13611493 0.84 NR1H2 (0.41) —
SCHEMBL8269180 0.83 KDM4E (0.41) KMT2AKDM4EMAPTLMNAALDH1A1
SCHEMBL13611501 0.83 FFAR1 (0.37) KMT2AFFAR1
SCHEMBL8268949 0.82 GPBAR1 (0.36) —
SCHEMBL13513794 0.81 PSEN1 (0.43) SCN1ASCN4ASCN7ASCN5ASCN9A
SCHEMBL13611611 0.81 FFAR4 (0.42) FFAR1
SCHEMBL13611598 0.81 FFAR4 (0.42) KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 — — US disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 — — 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 (1 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP SCN1A 253/4885SCN4A 399/4885SCN7A 379/4885

“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.

Send feedback