SCHEMBL23970763

SCHEMBL23970763

CC(C)N[C@H]1CNCC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.32
KCNH2 Q12809 1/20 0.31
GBA1 P04062 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL24850028 1.00 ADRB2 (0.32) ADRB2KCNH2GBA1CHRNB2CHRNB4
SCHEMBL23971529 1.00 ADRB2 (0.32) ADRB2KCNH2GBA1CHRNB2CHRNB4
SCHEMBL17131623 0.86 GBA1 (0.35) ADRB2KCNH2GBA1
SCHEMBL17131625 0.86 GBA1 (0.35) ADRB2KCNH2GBA1
SCHEMBL31209368 0.83 MAN1B1 (0.46) GBA1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31209104 0.83 MAN1B1 (0.46) GBA1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17776566 0.83 MAN1B1 (0.46) GBA1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18233596 0.83 MAN1B1 (0.46) GBA1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31209081 0.83 MAN1B1 (0.46) GBA1CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL34474102 0.81 MAN1B1 (0.43) GBA1CHRNB2CHRNB4CHRNA3CHRNA7

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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 ADRB2 4566/4885KCNH2 4784/4885GBA1 2030/4885

“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.