SCHEMBL12697198

SCHEMBL12697198

CCCNc1ccc(C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RRM2 P31350 2/20 0.46
▸ MAPT P10636 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ DDX3X O00571 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14197601 0.89 RRM2 (0.48) RRM2MAPTKCNQ3KCNQ2HDAC1
SCHEMBL18386498 0.85 KCNH3 (0.48) RRM2HCAR3NPSR1ADRA2ADDX3X
SCHEMBL3632606 0.83 ADRA2A (0.50) RRM2MAPTKCNQ3KCNQ2HDAC1
SCHEMBL9347587 0.82 NPSR1 (0.40) MAPTKCNQ3KCNQ2HDAC1HDAC8
SCHEMBL20037762 0.82 MAPT (0.43) MAPTKCNQ3KCNQ2HDAC1HDAC8
SCHEMBL25650053 0.82 STK17A (0.42) MAPTKCNQ3KCNQ2HDAC1HDAC8
SCHEMBL12788678 0.79 SLC22A12 (0.41) MAPTKCNQ3KCNQ2HDAC1HDAC8
SCHEMBL7662714 0.78 RRM2 (0.44) RRM2MAPTKCNQ3KCNQ2GAA
SCHEMBL22278995 0.78 NPSR1 (0.38) KCNQ3KCNQ2HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL1871520 0.77 FDFT1 (0.44) RRM2HCAR3ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 — — 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 RRM2 2414/4885MAPT 2611/4885KCNQ3 95/4885

“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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