SCHEMBL6450487

SCHEMBL6450487

CC(C)/C=C\c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
ALOX5 P09917 3/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL9967696 1.00 CYP11B1 (0.59) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL10193817 0.85 ALOX5 (0.55) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3012381 0.83 CYP11B1 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3012379 0.83 CYP11B1 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL6450540 0.82 CHRNB2 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL6294040 0.81 ALDH1A1 (0.54) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3017118 0.80 CHRNB2 (0.51) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL4658201 0.80 CYP11B1 (0.50) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3017116 0.80 CHRNB2 (0.51) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3013280 0.80 CHRNB2 (0.59) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CYP11B1 2802/4885CYP11B2 3479/4885ALOX5 3874/4885

“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.