SCHEMBL14725831

SCHEMBL14725831

O=C(O[C@@H]1CCC[C@@H](F)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRNA7 P36544 3/20 0.51
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46

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
SCHEMBL19014890 1.00 MEN1 (0.54) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL13674315 0.94 MEN1 (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL3229157 0.94 MEN1 (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL3229154 0.94 MEN1 (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL9248196 0.88 MEN1 (0.65) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1926317 0.85 MEN1 (0.65) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1786140 0.85 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL4453290 0.85 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL60478 0.83 MEN1 (0.63) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL14720174 0.83 MEN1 (0.63) MEN1KMT2ACHRNA7HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190012-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-06-18 US disclosed
US-20190127311-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-02 US disclosed
US-10196341-B2 C-halogen bond formation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-02-05 US disclosed
US-20160264512-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 US disclosed
US-20160264512-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 US disclosed
WO-2015054476-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-16 WO disclosed
US-20150031768-A1 C-HALOGEN BOND FORMATION NATIONAL SCIENCE FOUNDATION 2015-01-29 US disclosed
US-20140249329-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-09-04 US disclosed
US-20140227184-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-08-14 US disclosed
WO-2013081685-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-06-06 WO disclosed
WO-2013028639-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-02-28 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 (7 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-20200190012-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885
US-20140227184-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885
US-20160264512-A1 C-HALOGEN BOND FORMATION FOS, BCL3, CBR3 MEN1 2509/4885KMT2A 2264/4885CHRNA7 4467/4885
US-20190127311-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885
US-20140249329-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885
US-10196341-B2 C-halogen bond formation CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885
US-20150031768-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 MEN1 3495/4885KMT2A 2849/4885CHRNA7 4395/4885

“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.