SCHEMBL21776124

SCHEMBL21776124

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 14/20 0.34
DCUN1D1 Q96GG9 14/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 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
SCHEMBL22049611 0.88 OPRM1 (0.34) UBE2MDCUN1D1ALDH1A1TDP1OPRM1
SCHEMBL22332273 0.85 CYP2D6 (0.41) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL23168917 0.80 CYP2D6 (0.37) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL14804459 0.77 HRH3 (0.46) ALDH1A1TDP1
SCHEMBL19040733 0.76 UBE2M (0.31) UBE2MDCUN1D1
SCHEMBL25533682 0.76 UBE2M (0.38) UBE2MDCUN1D1
SCHEMBL25090277 0.75 OPRM1 (0.36) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL25447572 0.75 SIGMAR1 (0.46) UBE2MDCUN1D1ALDH1A1OPRM1OPRL1
SCHEMBL11573468 0.73
SCHEMBL19630484 0.73 KDM4E (0.38) UBE2MDCUN1D1OPRM1OPRL1

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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC UBE2M 3757/4885DCUN1D1 2850/4885ALDH1A1 2623/4885

“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.