SCHEMBL19690986

SCHEMBL19690986

CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Nc3cc(F)cc(F)c3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
ADORA2A P29274 7/20 0.43
ADORA1 P30542 4/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SCN9A Q15858 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
BPTF Q12830 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL19690913 0.91 HTT (0.48) GBA1ADORA2AADORA1HTTTSHR
SCHEMBL19691074 0.90 AURKA (0.48) GBA1HTTSMN1; SMN2ABCG2ALDH1A1
SCHEMBL19690893 0.87 AURKA (0.47) GBA1ADORA2AADORA1HTTTSHR
SCHEMBL19691065 0.84 HTT (0.43) GBA1ADORA2AADORA1HTTSMN1; SMN2
SCHEMBL19690912 0.84 BPTF (0.43) GBA1ADORA2AADORA1TSHRNPSR1
SCHEMBL19690860 0.84 HTT (0.43) GBA1ADORA2AADORA1HTTTSHR
SCHEMBL19690943 0.83 ADORA2A (0.59) GBA1ADORA2AADORA1SMN1; SMN2LMNA
SCHEMBL19691024 0.82 BPTF (0.43) GBA1ADORA2AADORA1TSHRNPSR1
SCHEMBL19690876 0.82 AURKA (0.48) GBA1ADORA2AADORA1TSHRNPSR1
SCHEMBL19690977 0.81 CTSC (0.50) SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GBA1 466/4885ADORA2A 1792/4885ADORA1 965/4885

“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.