SCHEMBL3149952

SCHEMBL3149952

COC(=O)C(C)c1ccc(F)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C2 P08235 3/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL31170887 0.85 PTGS2 (0.49) KMT2ACYP1A2CYP2C19TSHRFFAR1
SCHEMBL19182904 0.85 PTGS2 (0.49) KMT2ACYP1A2CYP2C19TSHRFFAR1
SCHEMBL31117167 0.83 CES2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31560789 0.83 CES2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23362931 0.83 MEN1 (0.40) MEN1MAPTHTTKMT2APSEN1
SCHEMBL3145101 0.82 MT-CO2 (0.44) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL2063733 0.82 LPAR1 (0.50) NPC1RAB9A
SCHEMBL21807213 0.81 MEN1 (0.40) MEN1MAPTHTTKMT2APSEN1
SCHEMBL5541713 0.81 LPAR1 (0.49) HTTKMT2APOLB
SCHEMBL30938843 0.81 NR3C2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 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 (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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 MEN1 4733/4885MAPT 3981/4885HTT 4695/4885

“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.