SCHEMBL16838951

SCHEMBL16838951

CCOC(=O)C(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
SCN9A Q15858 4/20 0.51
LIPE Q05469 6/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
P2RX3 P56373 1/20 0.47
RAB9A P51151 1/20 0.47
FPR2 P25090 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 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
SCHEMBL29176938 0.83 EPHX2 (0.56) CYP1A2CYP3A4CYP2C19RECQLPOLB
SCHEMBL10873975 0.81 LMNA (0.57) LMNASCN9ALIPEPOLBMAPK1
SCHEMBL16839900 0.80 LMNA (0.54) LMNASCN9ALIPEMAPK1PLAAT3
SCHEMBL9304488 0.80 LMNA (0.58) LMNASCN9ALIPEMAPK1PLAAT3
SCHEMBL11569576 0.79 LMNA (0.57) LMNASCN9ALIPEPOLBMAPK1
SCHEMBL4317357 0.78 LMNA (0.75) LMNASCN9ALIPECYP3A4CYP2C19
SCHEMBL11575037 0.78 SCN9A (0.55) LMNASCN9ALIPEPOLBMAPK1
SCHEMBL10938287 0.77 LMNA (0.55) LMNASCN9ALIPEMAPK1RAB9A
SCHEMBL11115332 0.76 LMNA (0.53) LMNASCN9ALIPEPOLBMAPK1
SCHEMBL9108246 0.75 LMNA (0.63) LMNASCN9ALIPEMAPK1PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 LMNA 4183/4885SCN9A 2894/4885LIPE 4454/4885

“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.