SCHEMBL14200436

SCHEMBL14200436

CC(C)c1cc(C(C)C)n(CCN(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL12789845 0.83 GRN (0.37) CNR1CNR2HTR1AHTR7
SCHEMBL14228300 0.81 GLS (0.39) UBE2MDCUN1D1ADRA1AHRH1ADRA1B
SCHEMBL14200450 0.79 CNR1 (0.40) CNR1CNR2
SCHEMBL20757780 0.78 HTR6 (0.33) CNR1CNR2
SCHEMBL3508345 0.77 CNR1 (0.40) CNR1CNR2
SCHEMBL17489165 0.76 ALDH1A1 (0.34) CNR1CNR2
SCHEMBL8270910 0.76 MPO (0.39) CNR1CNR2
SCHEMBL23329279 0.74
SCHEMBL12935855 0.74 ADORA2A (0.36) CNR1CNR2
SCHEMBL24246976 0.74 ADRA1A (0.36) UBE2MDCUN1D1ADRA1AHRH1ADRA1B

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 UBE2M 2260/4885DCUN1D1 1781/4885CNR1 1416/4885

“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.