SCHEMBL23902111

SCHEMBL23902111

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL12766249 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1CHRNB2CHRNB4
SCHEMBL23564628 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1CHRNB2CHRNB4
SCHEMBL19982694 0.86 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24489205 0.81 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18900262 0.80
SCHEMBL19397684 0.80
SCHEMBL438504 0.80
SCHEMBL21558504 0.77 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL17449154 0.75 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL13701610 0.75 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA4

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 ALDH1A1 4745/4885TSHR 1561/4885MAPK1 1517/4885

“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.