SCHEMBL5445602

SCHEMBL5445602

Cn1nccc1C1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
HDAC4 P56524 2/20 0.37
LMNA P02545 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
RBP4 P02753 1/20 0.33
ATM Q13315 1/20 0.32
SCD O00767 1/20 0.31
PRCP P42785 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SLC18A3 Q16572 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29918474 0.76 GPR119 (0.50) LMNAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL5445595 0.75 HCAR2 (0.48) HCAR2HDAC4
SCHEMBL16827665 0.74 PDK2 (0.49)
SCHEMBL16827963 0.74 PDK2 (0.49)
SCHEMBL16827666 0.73 HCAR2 (0.37) HCAR2HDAC4PRMT5WDR77ATM
SCHEMBL17001804 0.73 GAA (0.46) HCAR2HDAC4KDM4ESMN1; SMN2
SCHEMBL12802841 0.73
SCHEMBL9024555 0.72 DRD4 (0.43)
SCHEMBL12539635 0.72 PDE4B (0.47) KDM4E
SCHEMBL19724045 0.72 HCAR2 (0.43) HCAR2HDAC4PRMT5WDR77KDM4E

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-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 US 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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 HCAR2 721/4885HDAC4 556/4885LMNA 4699/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 HCAR2 939/4885HDAC4 1098/4885LMNA 4711/4885

“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.