SCHEMBL2358723

SCHEMBL2358723

O=C(C[C@H]1CCN2C(=O)OC[C@H]2C1)Nc1cn(-c2cc(F)cc(F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.37
DEGS1 O15121 2/20 0.36
IDH1 O75874 4/20 0.36
PSEN1 P49768 7/20 0.33
PSEN2 P49810 7/20 0.33
APH1B Q8WW43 7/20 0.33
NCSTN Q92542 7/20 0.33
APH1A Q96BI3 7/20 0.33
PSENEN Q9NZ42 7/20 0.33
USP30 Q70CQ3 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 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
SCHEMBL2359800 0.82 NPY5R (0.37) NPY5RDEGS1USP30
SCHEMBL13362203 0.82 NPY5R (0.37) NPY5RDEGS1USP30
SCHEMBL2315190 0.80 NPY5R (0.60) NPY5RDEGS1USP30
SCHEMBL2317422 0.80 NPY5R (0.49) NPY5RDEGS1USP30
SCHEMBL2318725 0.80 NPY5R (0.60) NPY5RDEGS1USP30
SCHEMBL2315496 0.80 NPY5R (0.49) NPY5RDEGS1USP30
SCHEMBL2422098 0.79 NPY5R (0.47) NPY5RDEGS1
SCHEMBL2416950 0.77 NPY5R (0.43) NPY5RDEGS1
SCHEMBL2359498 0.76 DEGS1 (0.43) NPY5RDEGS1
SCHEMBL2315476 0.74 NPY5R (0.42) NPY5RDEGS1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R NPY5R 1/4885DEGS1 3961/4885IDH1 2797/4885

“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.