SCHEMBL10217022

SCHEMBL10217022

CC(C)[C@H]1C[C@@H](Cn2ccnc2CO)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10216908 0.80 KMT2A (0.41) KCNH2ALDH1A1LMNA
SCHEMBL5655701 0.79 KCNH2 (0.40) KCNH2ALDH1A1HTT
SCHEMBL5657494 0.76 KCNH2 (0.39) KCNH2ALDH1A1HTT
SCHEMBL13820488 0.72 OPRD1 (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL5656262 0.71 KCNH2 (0.41) KCNH2GAAALDH1A1LMNAHTT
SCHEMBL2647561 0.68
SCHEMBL8026054 0.67
Hydrochloric Acid SCHEMBL1187702 0.67 KMT2A (0.42) KCNH2GAAALDH1A1LMNAHTT
SCHEMBL5656069 0.65 ALDH1A1 (0.44) KCNH2ALDH1A1HTT
SCHEMBL17865370 0.64 KCNH2 (0.41) KCNH2ALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI KCNH2 2619/4885GAA 1035/4885ALDH1A1 385/4885
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 KCNH2 3657/4885GAA 891/4885ALDH1A1 477/4885

“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.