SCHEMBL16669773

SCHEMBL16669773

CN[C@@H](C)CC=Cc1cncc(O[C@@H]2CCN(C(=O)C3CC3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
PIK3CD O00329 4/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
NAMPT P43490 8/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
SOS1 Q07889 1/20 0.38
CYP11B2 P19099 2/20 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
SCHEMBL16669772 1.00 CHRNB2 (0.53) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669892 1.00 CHRNB2 (0.53) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669891 1.00 CHRNB2 (0.53) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669507 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669505 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669944 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669639 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669945 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669827 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL16669641 0.96 CHRNB2 (0.51) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB

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
US-20150119378-A1 AZETIDINYLOXY-, PYRROLIDINYLOXY-, AND PIPERIDINYLOXY-SUBSTITUTED METANICOTINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT INC (US) 2015-04-30 US claimed
US-20150119378-A1 AZETIDINYLOXY-, PYRROLIDINYLOXY-, AND PIPERIDINYLOXY-SUBSTITUTED METANICOTINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT INC (US) 2015-04-30 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-20150119378-A1 AZETIDINYLOXY-, PYRROLIDINYLOXY-, AND PIPERIDINYLOXY-SUBSTITUTED METANICOTINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA5, CHRNA2, CHRNB2 CHRNB2 3/4885CHRNA4 9/4885PIK3CD 1642/4885

“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.