SCHEMBL2881063

SCHEMBL2881063

CC(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 2/20 0.65
USP2 O75604 3/20 0.61
TSHR P16473 2/20 0.61
MAPT P10636 6/20 0.61
HTT P42858 2/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GALR3 O60755 1/20 0.60
NR2F2 P24468 1/20 0.60
GFER P55789 2/20 0.59
CASP6 P55212 1/20 0.59
RAB9A P51151 1/20 0.58
MAPK1 P28482 3/20 0.57
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL4670098 0.85 USP2 (0.72) LMNAUSP2TSHRMAPTALDH1A1
SCHEMBL16151037 0.83 MAPT (0.70) LMNAUSP2TSHRMAPTHTT
SCHEMBL4182066 0.82 L3MBTL1 (0.73) SMN1; SMN2MAPTHTTALDH1A1KDM4E
SCHEMBL2881177 0.81 GPR119 (0.62) SMN1; SMN2LMNAMAPTHTTCRHBP
SCHEMBL12206749 0.81 MAPT (0.77) SMN1; SMN2LMNAMAPTHTTALDH1A1
SCHEMBL4182062 0.81 GFER (0.63) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL3583532 0.81 GFER (0.63) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL12916432 0.81 MAPK1 (0.59) SMN1; SMN2LMNATSHRMAPTHTT
SCHEMBL8738577 0.80 PARP14 (0.73) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL8844981 0.80 ALOX15 (0.72) SMN1; SMN2LMNAUSP2TSHRMAPT

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-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 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-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R SMN1; SMN2 4828/4885LMNA 1768/4885USP2 2570/4885

“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.