SCHEMBL21918079

SCHEMBL21918079

CO[C@@H](C)[C@@H](N)C1=CCN(C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNA7 P36544 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
SCHEMBL840146 0.75 KDM4E (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL22920544 0.72 KDM4E (0.39) KDM4ENPC1LMNAALOX15HTT
SCHEMBL24377495 0.66
SCHEMBL1109602 0.65 LMNA (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL840387 0.65 KDM4E (0.36) KDM4ENPC1LMNAALOX15HTT
SCHEMBL24733235 0.64 KDM4E (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL12811721 0.64 CHRNA7 (0.42) KDM4ENPC1LMNAALOX15HTT
SCHEMBL18843589 0.64 KDM4E (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL841052 0.63 KDM4E (0.35) KDM4ENPC1LMNAALOX15HTT
SCHEMBL24320169 0.62 KDM4E (0.40) KDM4ENPC1LMNAALOX15HTT

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-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-04-09 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-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES DPYD, KRAS, ABL1 KDM4E 2055/4885NPC1 394/4885LMNA 3865/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 KDM4E 2055/4885NPC1 394/4885LMNA 3865/4885

“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.