SCHEMBL25587358

SCHEMBL25587358

CC(C)(C)C(=O)NCCCCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.60
DRD2 P14416 11/20 0.60
RAD52 P43351 1/20 0.50
CACNA1H O95180 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HTR3A P46098 1/20 0.46

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
SCHEMBL15248910 0.95 DRD4 (0.57) DRD4DRD2CACNA1H
SCHEMBL8135888 0.88 DRD4 (0.55) DRD4DRD2CACNA1HKDM4E
SCHEMBL12156373 0.86 DRD4 (0.56) DRD4DRD2CACNA1HKDM4E
SCHEMBL10721796 0.86 DRD4 (0.65) DRD4DRD2CACNA1H
SCHEMBL25590714 0.84 LMNA (0.66) DRD4DRD2KDM4E
SCHEMBL21941875 0.82 DRD4 (0.56) DRD4DRD2CACNA1HKDM4E
SCHEMBL4700419 0.81 ALDH1A1 (0.62) DRD4DRD2RAD52HTR3A
SCHEMBL5504349 0.81 DRD2 (0.55) DRD4DRD2RAD52KDM4EHTR3A
SCHEMBL17717742 0.81 DRD4 (0.55) DRD4DRD2KDM4E
SCHEMBL31596990 0.80 DRD2 (0.58) DRD2

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 DRD4 4737/4885DRD2 4711/4885RAD52 516/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP DRD4 4697/4885DRD2 4638/4885RAD52 609/4885

“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.