SCHEMBL29317137

SCHEMBL29317137

CCN(CCO)[C@H](C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1A P35348 2/20 0.47
OPRK1 P41145 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
TRPA1 O75762 2/20 0.46
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 1/20 0.42
SNCA P37840 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL19113479 0.86 SIGMAR1 (0.51) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL3046018 0.85 SLC6A2 (0.57) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
Hydrochloric Acid SCHEMBL16702960 0.83 SLC6A2 (0.55) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL28406689 0.81 SIGMAR1 (0.77) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL13885045 0.81 MAOB (0.60) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL2474864 0.81 MAOB (0.60) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL29137651 0.79 SIGMAR1 (0.50) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL22398926 0.78 SIGMAR1 (0.57) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
SCHEMBL13994249 0.77 ADRA2B (0.46) SIGMAR1ADRA2BADRA2CADRA1AOPRK1
Hydrochloric Acid SCHEMBL10619477 0.77 SIGMAR1 (0.56) SIGMAR1ADRA2BADRA2CADRA1AOPRK1

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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES AZI2, NISCH, TET2 SIGMAR1 3477/4885ADRA2B 1046/4885ADRA2C 1004/4885

“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.