SCHEMBL22332273

SCHEMBL22332273

CCCC(C)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
UBE2M P61081 13/20 0.36
DCUN1D1 Q96GG9 13/20 0.36
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL23168917 0.91 CYP2D6 (0.37) CYP2D6KCNH2HRH3UBE2MDCUN1D1
SCHEMBL21776124 0.85 UBE2M (0.34) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL26530253 0.82 HRH3 (0.39) CYP2D6KCNH2HRH3KMT2APAX8
SCHEMBL19040733 0.79 UBE2M (0.31) UBE2MDCUN1D1
SCHEMBL12384749 0.78 CYP2D6 (0.42) CYP2D6KCNH2HRH3
SCHEMBL25447572 0.78 SIGMAR1 (0.46) UBE2MDCUN1D1KMT2AOPRM1OPRL1
SCHEMBL25090277 0.78 OPRM1 (0.36) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL23168732 0.77 HRH3 (0.38) CYP2D6KCNH2HRH3
SCHEMBL11573468 0.76
SCHEMBL19630484 0.76 KDM4E (0.38) UBE2MDCUN1D1KMT2AOPRM1OPRL1

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-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 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-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CYP2D6 4817/4885KCNH2 3642/4885HRH3 2787/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CYP2D6 4817/4885KCNH2 3642/4885HRH3 2787/4885

“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.