SCHEMBL25593000

SCHEMBL25593000

CCC(C)(C)C(=O)NCCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.61
DRD4 P21917 7/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
PAOX Q6QHF9 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL3086976 0.96 LMNA (0.67) DRD2DRD4LMNAALDH1A1GAA
SCHEMBL14640548 0.90 DRD2 (0.59) DRD2DRD4LMNAALDH1A1
SCHEMBL25590714 0.87 LMNA (0.66) DRD2DRD4LMNAALDH1A1GAA
SCHEMBL10223337 0.82 LMNA (0.72) DRD2DRD4LMNAALDH1A1GAA
SCHEMBL17717742 0.81 DRD4 (0.55) DRD2DRD4LMNAALDH1A1GAA
SCHEMBL18850983 0.79 GAA (0.59) DRD2DRD4LMNAALDH1A1GAA
SCHEMBL20243887 0.78 DRD2 (0.60) DRD2DRD4LMNAALDH1A1
SCHEMBL13450761 0.78 EPHX1 (0.50) DRD2DRD4ALDH1A1KDM4EMAPK1
SCHEMBL13915560 0.77 LMNA (0.65) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL173141 0.77 LMNA (0.57) DRD2DRD4LMNAALDH1A1GAA

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-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP DRD2 4638/4885DRD4 4697/4885LMNA 2014/4885

“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.