SCHEMBL19710643

SCHEMBL19710643

C[C@@H]1CN(C(=O)CO)C[C@H](C)N1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB3 Q05901 2/20 0.35
CHRNA6 Q15825 2/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MDM2 Q00987 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NAMPT P43490 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
SCHEMBL19701968 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14372554 0.79
SCHEMBL19710649 0.79 CHRNB2 (0.37) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19710834 0.77 CHRNB2 (0.35) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18820470 0.77 LMNA (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18820477 0.76 CHRNB2 (0.36) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14829022 0.75 CHRM1 (0.35) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14173612 0.75 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4234903 0.75 CHRM1 (0.35) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19160387 0.75 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 SMN1; SMN2 4355/4885CHRNB2 2984/4885CHRNA3 516/4885

“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.