SCHEMBL17518824

SCHEMBL17518824

CC(=O)N1CCCC(c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.54
▸ HSD11B1 P28845 2/20 0.53
▸ SPR P35270 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ CHRNA7 P36544 3/20 0.50
▸ CHRNB2 P17787 3/20 0.50
▸ CHRNA4 P43681 3/20 0.50
▸ CHRNB4 P30926 2/20 0.50
▸ CHRNA3 P32297 2/20 0.50
▸ CHRNA2 Q15822 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ PSIP1 O75475 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ CHRNA1 P02708 1/20 0.50
▸ CHRNG P07510 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CHRNB1 P11230 1/20 0.50

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
SCHEMBL14276850 0.93 HSD11B1 (0.60) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL14970361 0.87 CYP11B2 (0.53) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL17516264 0.85 HSD11B1 (0.50) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL16144645 0.85 HSD11B1 (0.50) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL19049365 0.84 HSD11B1 (0.56) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL24059287 0.83 CYP11B2 (0.57) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL31339129 0.82 GPR119 (0.56) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL25274630 0.82 GPR119 (0.56) CYP11B2HSD11B1SPRALDH1A1CHRNA7
SCHEMBL20738614 0.82 ALDH1A1 (0.60) HSD11B1ALDH1A1LMNAMAPTPROKR1
SCHEMBL20738480 0.82 ALDH1A1 (0.60) HSD11B1ALDH1A1LMNAMAPTPROKR1

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 3 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
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 — — EP 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 CYP11B2 1926/4885HSD11B1 1600/4885SPR 2923/4885

“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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