SCHEMBL21628643

SCHEMBL21628643

CNC(=O)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
HIF1A Q16665 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CASP2 P42575 1/20 0.43
EPAS1 Q99814 3/20 0.42
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
EP300 Q09472 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 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
SCHEMBL21628411 0.90 HDAC6 (0.47) MEN1RAB9AKMT2APOLBHIF1A
SCHEMBL20482054 0.87 HIF1A (0.54) MEN1RAB9AKMT2AHIF1ACASP2
SCHEMBL21628491 0.86 HIF1A (0.49) OPRM1OPRD1HRH3MEN1RAB9A
SCHEMBL21628474 0.85 HPGD (0.61) MEN1RAB9AKMT2AHIF1ASMN1; SMN2
SCHEMBL20827018 0.85 MEN1 (0.54) OPRM1OPRD1HRH3MEN1RAB9A
SCHEMBL21628483 0.84 MEN1 (0.45) HRH3MEN1RAB9AKMT2APOLB
SCHEMBL21656984 0.82 PDE4B (0.53) MEN1RAB9AKMT2AHIF1AHPGD
SCHEMBL21752956 0.82 MEN1 (0.45) HRH3MEN1RAB9AKMT2AHIF1A
SCHEMBL21656653 0.81 HIF1A (0.43) MEN1RAB9AKMT2AHIF1ACASP2
SCHEMBL21628508 0.80 OPRM1 (0.49) OPRM1OPRD1HRH3POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (4 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRM1 4075/4885OPRD1 3247/4885HRH3 60/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885HRH3 69/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885HRH3 69/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885HRH3 69/4885

“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.