SCHEMBL3141673

SCHEMBL3141673

COC(=O)C(C)c1ccc(F)cc1OC[C@@]1(C)CO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HDAC2 Q92769 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
NR3C2 P08235 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CCR1 P32246 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 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
SCHEMBL3141666 1.00 TSHR (0.35) TSHRHDAC2MEN1KMT2AGAA
SCHEMBL3145764 0.91 TSHR (0.33) TSHRHDAC2MEN1KMT2AGAA
SCHEMBL3140758 0.85 KMT2A (0.37) TSHRMEN1KMT2AALDH1A1
SCHEMBL3140766 0.85 KMT2A (0.37) TSHRMEN1KMT2AALDH1A1
SCHEMBL3149952 0.77 MEN1 (0.41) TSHRHDAC2MEN1KMT2ANR3C2
SCHEMBL6211946 0.77 CCR1 (0.47) NR3C2CCR1ALDH1A1POLBRAB9A
SCHEMBL3144157 0.74 PDE4D (0.36) HDAC2MEN1KMT2AMGLLALDH1A1
SCHEMBL3144159 0.74 PDE4D (0.36) HDAC2MEN1KMT2AMGLLALDH1A1
SCHEMBL3145738 0.73 CXCL8 (0.39) TSHRMGLLPOLB
SCHEMBL3145731 0.73 CXCL8 (0.39) TSHRMGLLPOLB

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 TSHR 2734/4885HDAC2 565/4885MEN1 4733/4885

“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.