SCHEMBL16839733

SCHEMBL16839733

CCOC(=O)C1(CNCc2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.43
▸ KCNQ3 O43525 2/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KCNQ4 P56696 1/20 0.38
▸ KCNQ5 Q9NR82 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ LSS P48449 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
SCHEMBL16839659 0.97 KCNQ2 (0.41) KCNQ2KCNQ3EPHX2PPARGMMP1
SCHEMBL16839837 0.92 KCNQ2 (0.47) KCNQ2KCNQ3EPHX2PPARGKCNH2
SCHEMBL16839653 0.90 KCNQ2 (0.45) KCNQ2KCNQ3EPHX2PPARGKCNH2
SCHEMBL16839725 0.89 KCNQ2 (0.44) KCNQ2KCNQ3EPHX2PPARGKCNH2
SCHEMBL16839654 0.87 LMNA (0.44) NPSR1KDM4EPOLBALDH1A1
SCHEMBL16839640 0.83 SMN1; SMN2 (0.44) MMP2NPSR1POLBALDH1A1
SCHEMBL3737443 0.78 OPRM1 (0.45) KCNQ2KCNQ3EPHX2PPARGKCNH2
SCHEMBL16839833 0.78 EPHX2 (0.47) EPHX2PPARGPOLBALDH1A1PPARA
SCHEMBL16839678 0.77 EPHX1 (0.42) EPHX2MMP1MMP9MMP13NPSR1
SCHEMBL16839666 0.76 TUBB4A (0.43) KDM4EPOLBALDH1A1

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 2 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-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 KCNQ2 3417/4885KCNQ3 4032/4885EPHX2 1144/4885

“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.

Send feedback