SCHEMBL21477059

SCHEMBL21477059

CCCOCCCN1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.43
GNAO1 P09471 2/20 0.43
GNAI1 P63096 2/20 0.43
HRH3 Q9Y5N1 6/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
PAOX Q6QHF9 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN1A P35498 1/20 0.39
HTR2B P41595 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
SCHEMBL10924938 0.94 HRH3 (0.44) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL19604922 0.92 GNAI3 (0.47) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL4904859 0.91 ALDH1A1 (0.49) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL21348422 0.88 GNAI3 (0.53) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL4902016 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL23471047 0.86 GNAI3 (0.50) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL20333607 0.86 HRH3 (0.41) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL26940896 0.86 ALDH1A1 (0.45) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL10245400 0.85 HRH3 (0.44) GNAI3GNAO1GNAI1HRH3ALDH1A1
SCHEMBL24428779 0.85 HRH3 (0.50) HRH3ALDH1A1SIGMAR1CHRM2KCNH2

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
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 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-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR GNAI3 553/4885GNAO1 1629/4885GNAI1 415/4885

“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.