SCHEMBL14200450

SCHEMBL14200450

CCCn1nc(C(C)C)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
HCAR3 P49019 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC9A1 P19634 1/20 0.32
ESR1 P03372 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
SCHEMBL2737348 0.84 ADORA2B (0.42) CNR1CNR2ADORA2AADORA2BALDH1A1
SCHEMBL12935855 0.83 ADORA2A (0.36) CNR1CNR2ADORA2AADORA2BALDH1A1
SCHEMBL23399207 0.82 CNR1 (0.41) CNR1CNR2ADORA2AADORA2BHCAR3
SCHEMBL3508345 0.82 CNR1 (0.40) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL17489165 0.80 ALDH1A1 (0.34) CNR1CNR2ALDH1A1GAA
SCHEMBL8270910 0.80 MPO (0.39) CNR1CNR2HCAR3MEN1TSHR
SCHEMBL9906364 0.80 CNR1 (0.43) CNR1CNR2ADORA2AADORA2BALDH1A1
SCHEMBL14200436 0.79 UBE2M (0.38) CNR1CNR2
SCHEMBL6174844 0.78 CNR1 (0.39) CNR1CNR2ADORA2AADORA2BHCAR3
SCHEMBL23403172 0.78 ADORA2A (0.39) CNR1CNR2ADORA2AADORA2BHCAR3

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 CNR1 1416/4885CNR2 1604/4885ADORA2A 1540/4885

“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.