SCHEMBL21362951

SCHEMBL21362951

CSc1cccc2c1CN(C(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.37
TMEM97 Q5BJF2 5/20 0.37
SIGMAR1 Q99720 5/20 0.37
HTR1A P08908 1/20 0.35
KMT2A Q03164 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL24317412 0.85 KMT2A (0.37) KCNH2TMEM97SIGMAR1HTR1AKMT2A
SCHEMBL15449628 0.77 KIF11 (0.42) KCNH2TMEM97SIGMAR1KMT2AHRH3
SCHEMBL12367365 0.75 ADRA2A (0.44) KCNH2TMEM97SIGMAR1KMT2AHRH3
SCHEMBL13243094 0.75 KCNH2 (0.58) KCNH2TMEM97SIGMAR1KMT2AMEN1
SCHEMBL2741665 0.75 KCNH2 (0.38) KCNH2TMEM97SIGMAR1KMT2AHRH3
SCHEMBL1101990 0.72 MEN1 (0.55) KCNH2KMT2AHRH3MEN1
SCHEMBL20119408 0.72 ACACB (0.40) KCNH2TMEM97SIGMAR1HTR1AKMT2A
SCHEMBL27010070 0.72 ABHD6 (0.47) KCNH2TMEM97SIGMAR1
SCHEMBL20173789 0.72 KCNH2 (0.37) KCNH2TMEM97SIGMAR1KMT2AHRH3
SCHEMBL23716163 0.70 HRH3 (0.43) KCNH2KMT2AHRH3MEN1

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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP KCNH2 4784/4885TMEM97 4711/4885SIGMAR1 4696/4885

“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.