SCHEMBL3069763

SCHEMBL3069763

C[C@@H]1CN(c2c(F)cc(C#Cc3cccnc3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
GRM4 Q14833 16/20 0.46
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3073344 0.86 ERN1 (0.40) ERN1GRM4GRM5KDM4EHTT
SCHEMBL3062271 0.85 KDM4E (0.39) ERN1GRM4KDM4EHTT
SCHEMBL3061579 0.84 KDM4E (0.39) ERN1GRM4KDM4EHTT
SCHEMBL3068016 0.82 ERN1 (0.40) ERN1GRM4GRM5KDM4EHTT
SCHEMBL3070590 0.82 KDM4E (0.37) KDM4EHTT
SCHEMBL3063518 0.81 KDM4E (0.32) KDM4EHTT
SCHEMBL3057172 0.80 ERN1 (0.46) ERN1GRM4KDM4EHTT
SCHEMBL3062291 0.79 KDM4E (0.37) KDM4EHTT
SCHEMBL3065450 0.79 HTT (0.39) GRM4GRM5KDM4EHTT
SCHEMBL3065398 0.79 HTT (0.39) GRM4GRM5KDM4EHTT

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 ERN1 1745/4885GRM4 2279/4885GRM5 2344/4885

“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.