SCHEMBL25818430

SCHEMBL25818430

CCC(CC)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 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
SCHEMBL26530253 0.83 HRH3 (0.39) HRH3CYP2D6KCNH2HSD11B1HTT
SCHEMBL17752563 0.81 CYP2D6 (0.43) HRH3CYP2D6KCNH2HSD11B1HTT
SCHEMBL23178967 0.81 CYP2D6 (0.40) HRH3CYP2D6KCNH2HSD11B1HTT
SCHEMBL22060250 0.78 CYP2D6 (0.38) HRH3CYP2D6KCNH2HTTL3MBTL1
SCHEMBL20094832 0.77 CYP2D6 (0.35) HRH3CYP2D6KCNH2HSD11B1MEN1
SCHEMBL8285967 0.75 PHGDH (0.37) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL179369 0.75 HRH3 (0.63) HRH3CYP2D6KCNH2HSD11B1ALDH1A1
SCHEMBL14174940 0.74 KDM4E (0.36) HRH3KDM4EALDH1A1TDP1CYP1A2
SCHEMBL22332273 0.74 CYP2D6 (0.41) HRH3CYP2D6KCNH2KMT2A
SCHEMBL23168732 0.74 HRH3 (0.38) HRH3CYP2D6KCNH2

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-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 HRH3 2381/4885CYP2D6 4238/4885KCNH2 1813/4885

“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.