SCHEMBL13780653

SCHEMBL13780653

CC(=O)NC(C)CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.37
ALDH1A1 P00352 3/20 0.37
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
TRPV1 Q8NER1 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL12506705 0.88 PAOX (0.38) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL13645921 0.83 ACACB (0.36) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL13780937 0.83 ACACB (0.36) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL8974574 0.82 TGFBR1 (0.43) ALDH1A1TSHR
SCHEMBL24369834 0.79 CYP2C9 (0.41) ACACBALDH1A1
SCHEMBL361526 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19861605 0.79 TRPV1 (0.41) ALDH1A1TRPV1TSHR
Propane SCHEMBL28191962 0.79 TGFBR1 (0.41)
SCHEMBL24459288 0.77 ACACB (0.39) ACACBALDH1A1MTNR1AMTNR1B
SCHEMBL13136108 0.77 ACACB (0.39) ACACBALDH1A1MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
CN-105263906-B The inhibitor of histone demethylase 吉利德科学公司 2018-11-23 CN disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ACACB 444/4885ALDH1A1 168/4885MTNR1A 996/4885

“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.