SCHEMBL17549697

SCHEMBL17549697

CC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(C)c(OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.48
MTNR1B P49286 9/20 0.48
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 5/20 0.45
LTA4H P09960 3/20 0.44

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
SCHEMBL12593832 0.88 AAK1 (0.48) AAK1MTNR1BALDH1A1KMT2AMTNR1A
SCHEMBL21580667 0.87 AAK1 (0.48) AAK1
SCHEMBL31089796 0.87 AAK1 (0.48) AAK1
SCHEMBL1978552 0.86 XIAP (0.55) AAK1MTNR1BKMT2AMTNR1ALTA4H
SCHEMBL18590762 0.86 AAK1 (0.42) AAK1MTNR1BLTA4H
SCHEMBL1983127 0.86 AAK1 (0.48) AAK1ALDH1A1KMT2ALTA4H
SCHEMBL20906310 0.86 AAK1 (0.48) AAK1ALDH1A1KMT2ALTA4H
SCHEMBL1978742 0.86 AAK1 (0.48) AAK1ALDH1A1KMT2ALTA4H
Hydrochloric Acid SCHEMBL21980915 0.85 AAK1 (0.47) AAK1ALDH1A1KMT2ALTA4H
Hydrochloric Acid SCHEMBL13720612 0.85 AAK1 (0.47) AAK1ALDH1A1KMT2ALTA4H

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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 US disclosed
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 AAK1 1159/4885MTNR1B 1903/4885ALDH1A1 848/4885

“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.