SCHEMBL21656808

SCHEMBL21656808

CNC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
LIPE Q05469 10/20 0.46
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
HPGDS O60760 1/20 0.42
POLB P06746 1/20 0.42
SCN9A Q15858 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
SCHEMBL21656970 0.91 OPRM1 (0.48) OPRM1OPRD1LMNAHRH3LIPE
SCHEMBL21628776 0.90 LMNA (0.46) LMNALIPESMN1; SMN2HPGDSPOLB
SCHEMBL21656796 0.87 LMNA (0.60) LMNAHRH3LIPEHTT
SCHEMBL20482360 0.86 L3MBTL1 (0.49) OPRM1OPRD1LMNAHRH3LIPE
SCHEMBL21628708 0.85 HPGD (0.61) HRH3SMN1; SMN2HPGDTSHRHTT
SCHEMBL21628793 0.85 OPRM1 (0.50) OPRM1OPRD1LMNAHRH3
SCHEMBL21628627 0.84 LMNA (0.45) LMNAHRH3LIPESMN1; SMN2HPGD
SCHEMBL21656809 0.84 HRH3 (0.39) OPRM1OPRD1LMNAHRH3LIPE
SCHEMBL21656940 0.84 PTK2 (0.40) OPRM1OPRD1HRH3LIPE
SCHEMBL21656811 0.83 MEN1 (0.42) OPRM1OPRD1LMNAHRH3LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3247/4885LMNA 3083/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885LMNA 3327/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885LMNA 3327/4885

“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.