SCHEMBL21738355

SCHEMBL21738355

CCOCCCN1CCC(O)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
HRH1 P35367 4/20 0.46
HRH2 P25021 1/20 0.46
ACHE P22303 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL22281941 0.94 CYP2D6 (0.48) HRH3HRH1HRH2ACHESPHK1
SCHEMBL10059171 0.89 HRH3 (0.48) HRH3HRH1HRH2ACHECYP2D6
SCHEMBL10059156 0.89 HRH3 (0.48) HRH3HRH1HRH2ACHECYP2D6
SCHEMBL8897615 0.87 SPHK1 (0.46) HRH3HRH1HRH2ACHESPHK1
SCHEMBL29322718 0.83 MAPK1 (0.40) HRH3CYP2D6CYP2C19ALDH1A1RAB9A
SCHEMBL11569854 0.83
SCHEMBL21738353 0.82 HRH3 (0.45) HRH3HRH1CYP2D6CYP2C19ALDH1A1
SCHEMBL21000316 0.82 GLB1 (0.42) HRH3HRH1HRH2CYP2D6CYP2C19
SCHEMBL12717293 0.82 HRH3 (0.47) HRH3HRH1HRH2ACHESPHK1
SCHEMBL21933658 0.82 SIGMAR1 (0.53) HRH3HRH1HRH2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
US-11059834-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed
US-20200055869-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. 2020-02-20 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 (2 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-11059834-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 HRH3 162/4885HRH1 234/4885HRH2 158/4885
US-20200055869-A1 MACROCYCLIC IMMUNOMODULATORS IL2, IL2RA, C3AR1 HRH3 162/4885HRH1 234/4885HRH2 158/4885

“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.