SCHEMBL16839701

SCHEMBL16839701

COC(=O)CC1(NCc2ccc(-c3ccc(CF)cc3)cc2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PPID Q08752 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ CTSC P53634 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ OPRL1 P41146 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16839693 0.89 CTSC (0.42) CNR2MAPTLMNACTSCMMP1
SCHEMBL18025455 0.87 CD274 (0.39) MAPTMMP1MMP13OPRL1
SCHEMBL16839720 0.86 EPHX2 (0.39) ANO1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL16839822 0.83 MMP2 (0.41) ANO1CNR2MAPTLMNAMMP1
SCHEMBL16839627 0.80 EPHX1 (0.43) ANO1MMP1MMP13ALDH1A1
SCHEMBL16839705 0.79 CA12 (0.42) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL16838914 0.78 CD274 (0.41) MAPTLMNAMMP1MMP13
SCHEMBL16839633 0.78 NPC1 (0.43) CNR2MAPTLMNAALDH1A1OPRL1
SCHEMBL16839625 0.78 NPC1 (0.43) CNR2LMNAALDH1A1OPRL1SMN1; SMN2
SCHEMBL16838936 0.77 CNR2 (0.47) CNR2MAPT

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-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 ANO1 4793/4885CNR2 645/4885MAPT 4203/4885

“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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