SCHEMBL26501062

SCHEMBL26501062

CC(C)N1CCC(N(C)C2CCN(C(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
WHR1 P49842 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11991385 0.98 HRH3 (0.37) HRH3MEN1KMT2ABRD4TAF1
SCHEMBL8257089 0.91 HTR2A (0.37) HRH3MEN1KMT2ABRD4TAF1
SCHEMBL24294554 0.89 WHR1 (0.34) HRH3MEN1KMT2ABRD4TAF1
SCHEMBL20046957 0.88 HRH3 (0.33) HRH3WHR1
SCHEMBL20682188 0.88 HRH3 (0.33) HRH3
SCHEMBL18347918 0.87 HRH3 (0.36) HRH3WHR1KCNH2
SCHEMBL8257091 0.86 HRH3 (0.32) HRH3BRD4TAF1CECR2BRD9
SCHEMBL803511 0.85 L3MBTL3 (0.38) HRH3BRD4TAF1CECR2BRD9
SCHEMBL21500950 0.84 PIK3CD (0.38) HRH3CYP2D6
SCHEMBL22692178 0.84 HRH3 (0.46) HRH3MEN1KMT2AGAATSHR

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS HRH3 3236/4885MEN1 1557/4885KMT2A 851/4885

“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.