SCHEMBL14224401

SCHEMBL14224401

CN1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.40
KDM1A O60341 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BTK Q06187 1/20 0.36
SSTR1 P30872 2/20 0.35
SSTR4 P31391 2/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CCR1 P32246 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4641615 0.85 CTSK (0.46) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL4641612 0.85 CTSK (0.46) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL4641603 0.85 CTSK (0.46) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL24928078 0.81 CTSK (0.41) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL31368050 0.81 CTSK (0.41) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL24928082 0.81 CTSK (0.41) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL14908041 0.81 CTSK (0.43) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL14908035 0.81 CTSK (0.43) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL17987960 0.80 CTSK (0.42) NFKB1NFKB2RELACTSKKDM1A
SCHEMBL22482249 0.79 KDM1A (0.47) NFKB1NFKB2RELACTSKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 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 (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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R NFKB1 3629/4885NFKB2 4132/4885RELA 4277/4885

“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.