SCHEMBL15917112

SCHEMBL15917112

OC1CCN(N2CCOCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
ALDH1A1 P00352 2/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
MGLL Q99685 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL1862926 0.78 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL1231703 0.78 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL2378473 0.74 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL6646583 0.73 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL5754253 0.73 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL17362405 0.73 PHGDH (0.32) CA12CA1CA2CA9PHGDH
SCHEMBL28123975 0.71 TSHR (0.51) ALDH1A1PHGDH
SCHEMBL16321213 0.71 GPR119 (0.48)
SCHEMBL236146 0.71 MGLL (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL1956710 0.69 MGLL (0.32) MGLL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 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 (3 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CA12 3617/4885CA1 3447/4885CA2 4418/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA12 3327/4885CA1 3615/4885CA2 4111/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA12 3327/4885CA1 3615/4885CA2 4111/4885

“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.