SCHEMBL23901760

SCHEMBL23901760

CC(C)NC[C@@H](C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRB1 P08588 3/20 0.30
MAPT P10636 2/20 0.30
ADRB3 P13945 2/20 0.30
MTOR P42345 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3156397 1.00 ADRB2 (0.33) ADRB2TSHRHIF1AADRA1AADRB1
SCHEMBL17154158 1.00 ADRB2 (0.33) ADRB2TSHRHIF1AADRA1AADRB1
Hydrochloric Acid SCHEMBL3957154 0.97 ADRB2 (0.32) ADRB2TSHRHIF1AADRA1AADRB1
SCHEMBL19576713 0.80
SCHEMBL13995775 0.80
SCHEMBL13995863 0.80
SCHEMBL7953329 0.75
SCHEMBL21566724 0.75
SCHEMBL19823506 0.75 ADRB2 (0.40) ADRB2TSHRHIF1AADRA1AADRB1
SCHEMBL19542999 0.73 ADRB2 (0.38) ADRB2TSHRHIF1AADRA1AADRB1

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 ADRB2 2652/4885TSHR 1561/4885HIF1A 1529/4885

“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.