SCHEMBL182883

SCHEMBL182883

O=CN(Cc1ccccc1)C1=COCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
REN P00797 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL761128 0.77 TSHR (0.45) CA2HPGDLMNATSHRALDH1A1
SCHEMBL4747223 0.76 TRPM8 (0.42) TRPM8HPGDLMNATSHRALDH1A1
SCHEMBL2504679 0.76 AOC3 (0.41) CA2TRPM8HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL1881838 0.74 AOC3 (0.40) CA2HPGDLMNATSHRALDH1A1
SCHEMBL976922 0.73 ALDH1A1 (0.39) HPGDLMNAALDH1A1NPSR1KDM4E
SCHEMBL7258846 0.73 CA2 (0.40) CA2HPGDLMNAALDH1A1NPSR1
SCHEMBL3604523 0.72 YTHDC1 (0.36) TSHRALDH1A1NPSR1KDM4EMEN1
SCHEMBL305634 0.70 TSHR (0.50) CA2TRPM8LMNATSHRALDH1A1
SCHEMBL976808 0.69 ALDH1A1 (0.42) LMNAALDH1A1KDM4EMAPT
SCHEMBL3393849 0.69 OPRM1 (0.43) HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 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 (2 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-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CA2 2203/4885TRPM8 63/4885HPGD 2509/4885
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CA2 2203/4885TRPM8 63/4885HPGD 2509/4885

“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.