SCHEMBL17516264

SCHEMBL17516264

CC(C)C(=O)N1CCCC(c2cccnc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ BLM P54132 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ SPR P35270 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CHRNA7 P36544 2/20 0.47
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNB4 P30926 2/20 0.47
▸ CHRNA3 P32297 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ CHRNA2 Q15822 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL16886321 0.94 HSD11B1 (0.57) HSD11B1CYP11B2BLMKDM4EALOX15
SCHEMBL16219016 0.88 CYP11B2 (0.49) HSD11B1CYP11B2BLMKDM4EALOX15
SCHEMBL17518824 0.85 CYP11B2 (0.54) HSD11B1CYP11B2PRMT5WDR77BLM
SCHEMBL28154388 0.84 HSD11B1 (0.48) HSD11B1CYP11B2BLMKDM4EALOX15
SCHEMBL12413775 0.84 ALDH1A1 (0.56) HSD11B1ALDH1A1LMNAMAPTPROKR1
SCHEMBL16144645 0.82 HSD11B1 (0.50) HSD11B1CYP11B2PRMT5WDR77BLM
SCHEMBL15528763 0.81 NAMPT (0.63) LMNAMAPTNAMPT
SCHEMBL25767313 0.81 CYP11B2 (0.49) HSD11B1CYP11B2PRMT5WDR77BLM
SCHEMBL24059287 0.80 CYP11B2 (0.57) HSD11B1CYP11B2PRMT5WDR77BLM
SCHEMBL31339129 0.79 GPR119 (0.56) HSD11B1CYP11B2PRMT5WDR77BLM

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-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI HSD11B1 1600/4885CYP11B2 1926/4885PRMT5 1688/4885

“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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