SCHEMBL16839659

SCHEMBL16839659

CCOC(=O)C1(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.41
▸ KCNQ3 O43525 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PPID Q08752 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37

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
SCHEMBL16839733 0.97 KCNQ2 (0.43) KCNQ2KCNQ3EPHX2PPARGPPARD
SCHEMBL16839837 0.89 KCNQ2 (0.47) KCNQ2KCNQ3EPHX2PPARGPPARD
SCHEMBL16839640 0.87 SMN1; SMN2 (0.44) MEN1MAPTKMT2AMMP2NPSR1
SCHEMBL16839653 0.87 KCNQ2 (0.45) KCNQ2KCNQ3EPHX2PPARGPPARD
SCHEMBL16839725 0.86 KCNQ2 (0.44) KCNQ2KCNQ3EPHX2PPARGPPARD
SCHEMBL16839654 0.84 LMNA (0.44) KDM4EMEN1MAPTKMT2ANPSR1
SCHEMBL20197027 0.79 KDM4E (0.37) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL16839678 0.79 EPHX1 (0.42) EPHX2MMP1MMP9MMP13HDAC1
SCHEMBL16839861 0.79 SMN1; SMN2 (0.49) PPIDKDM4EMEN1MAPTKMT2A
SCHEMBL16839638 0.77 SMN1; SMN2 (0.47) KDM4EMEN1MAPTKMT2APOLB

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.

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