SCHEMBL21648556

SCHEMBL21648556

CO[C@]12CCC(=O)C[C@H]1N1CCc3c([nH]c4ccccc34)[C@@H]1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ADRA1A P35348 5/20 0.41
▸ ADRA1B P35368 5/20 0.41
▸ ADRA1D P25100 4/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ ADRA2A P08913 5/20 0.41
▸ ADRA2B P18089 5/20 0.41
▸ ADRA2C P18825 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ PMP22 Q01453 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 2/20 0.41

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
SCHEMBL21648557 1.00 CHRNA7 (0.44) CHRNA7MEN1KMT2AADRA1AADRA1B
SCHEMBL21648528 0.87 MAPKAPK2 (0.47) ADRA1AKDM4EHPGDHTR1BHTR1D
SCHEMBL21648543 0.87 MAPKAPK2 (0.47) ADRA1AKDM4EHPGDHTR1BHTR1D
SCHEMBL21648544 0.81 MEN1 (0.58) MEN1KMT2AHSD17B10KDM4ETSHR
SCHEMBL21648546 0.81 MEN1 (0.58) MEN1KMT2AHSD17B10KDM4ETSHR
SCHEMBL21648531 0.81 MEN1 (0.58) MEN1KMT2AHSD17B10KDM4ETSHR
SCHEMBL21648542 0.80 CHRNA7 (0.43) CHRNA7MEN1KMT2AADRA1AADRA1B
SCHEMBL21648510 0.80 CHRNA7 (0.43) CHRNA7MEN1KMT2AADRA1AADRA1B
SCHEMBL21648522 0.77 CHRNA7 (0.45) CHRNA7MEN1KMT2AADRA1AADRA1B
SCHEMBL21648521 0.77 CHRNA7 (0.45) CHRNA7MEN1KMT2AADRA1AADRA1B

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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof UNIVERSITY OF SHARJAH (AE) 2021-06-17 — — US disclosed
WO-2020021489-A2 DISCOVERY OF NOVEL FIRST IN CLASS NATURE-INSPIRED COMPOUNDS TARGETING THE MITOCHONDRIAL FUNCTION AND PHARMACEUTICAL COMPOSITION THEREOF UNIVERSITY OF SHARJAH (AE) 2020-01-30 — — WO 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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof NDUFAB1, TFAM, CS CHRNA7 4876/4885MEN1 1244/4885KMT2A 4698/4885

“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.

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