SCHEMBL24700413

SCHEMBL24700413

CC(C)(C)OC(=O)N1CCC(N2CCCC(c3ccccc3)C2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.43
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL23123389 0.88 EPHX2 (0.44)
SCHEMBL24700396 0.87 NAMPT (0.45) HCRTR2ALDH1A1
SCHEMBL24700142 0.82 NAMPT (0.45) HCRTR2LMNATP53
SCHEMBL24700468 0.79 RIPK1 (0.41)
SCHEMBL24700163 0.79 HPGD (0.43) ALDH1A1HPGD
Formamide SCHEMBL8801927 0.78 NAMPT (0.41) HCRTR2LMNATP53
SCHEMBL16004560 0.78 RORC (0.46)
SCHEMBL15151141 0.77 AGTR2 (0.55) AGTR2HCRTR2ALDH1A1LMNAHPGD
SCHEMBL22333687 0.77 AGTR2 (0.55) AGTR2HCRTR2ALDH1A1LMNAHPGD
SCHEMBL15151143 0.77 AGTR2 (0.55) AGTR2HCRTR2ALDH1A1LMNAHPGD

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 AGTR2 3516/4885HCRTR2 665/4885ALDH1A1 1559/4885

“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.