SCHEMBL25934757

SCHEMBL25934757

C#CCCCN(C)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL151717 0.78 HRH4 (0.37) HRH4HRH3KDM4E
SCHEMBL3373129 0.74 ADH1A (0.42) HRH4HRH3KDM4E
SCHEMBL19102684 0.72 HRH4 (0.37) HRH4HRH3KDM4E
SCHEMBL5253542 0.72 ADH1A (0.44) HRH4HRH3KDM4E
SCHEMBL9949604 0.72 HRH4 (0.37) HRH4HRH3KDM4E
SCHEMBL738707 0.72 HRH4 (0.37) HRH4HRH3KDM4E
SCHEMBL4973138 0.72 HRH4 (0.41) HRH4HRH3KDM4E
SCHEMBL14546899 0.72 ADH1A (0.42) HRH4HRH3
SCHEMBL14159145 0.72 ADH1A (0.44) HRH4HRH3KDM4E
SCHEMBL9424888 0.72 SIGMAR1 (0.50) HRH4HRH3KDM4E

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HRH4 3699/4885HRH3 2787/4885DRD2 4875/4885

“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.