SCHEMBL23257569

SCHEMBL23257569

CC(C)C1CCN(C(=O)CCC(C)C2CCN(C(N)=O)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.39
GNAI1 P63096 5/20 0.39
GNAO1 P09471 4/20 0.39
NPC1 O15118 1/20 0.39
CACNA1B Q00975 2/20 0.36
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL19645417 0.87 GNAI3 (0.49) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL21871200 0.85 HSD11B1 (0.48) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL24943358 0.85 HRH3 (0.39) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL23511722 0.84 GNAI3 (0.48) GNAI3GNAI1GNAO1NPC1
SCHEMBL22605257 0.82 NPC1 (0.39) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL1109055 0.82 CPN1 (0.40) CPN1CPB2KMT2ADPP4DPP8
SCHEMBL19738849 0.82 ALDH1A1 (0.50) GNAI3GNAI1GNAO1NPC1
SCHEMBL19184868 0.82 ITGB3 (0.37) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL22874723 0.81 NPC1 (0.46) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL22874752 0.80 NPC1 (0.44) GNAI3GNAI1GNAO1NPC1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 GNAI3 772/4885GNAI1 1029/4885GNAO1 863/4885

“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.