SCHEMBL21628508

SCHEMBL21628508

CNC(=O)c1ccc(Oc2ccc(C3C4CC5CC(C4)CC3C5)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
OPRD1 P41143 4/20 0.49
HRH3 Q9Y5N1 3/20 0.48
POLB P06746 1/20 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
MMP13 P45452 1/20 0.40
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
LMNA P02545 1/20 0.40
LIPE Q05469 4/20 0.39
OPRK1 P41145 2/20 0.39
HPGDS O60760 1/20 0.38
CTSA P10619 1/20 0.38

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
SCHEMBL21628510 1.00 OPRM1 (0.49) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL21628894 0.90 POLB (0.43) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL21628892 0.90 POLB (0.43) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL23210666 0.87 LMNA (0.51) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL23210665 0.87 LMNA (0.51) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL23210687 0.86 MAPT (0.43) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL23210684 0.86 MAPT (0.43) OPRM1OPRD1HRH3POLBSMN1; SMN2
SCHEMBL21628644 0.85 HPGD (0.61) HRH3SMN1; SMN2HPGDTSHRHTT
SCHEMBL21628646 0.85 HPGD (0.61) HRH3SMN1; SMN2HPGDTSHRHTT
SCHEMBL21628647 0.85 OPRM1 (0.50) OPRM1OPRD1HRH3OPRK1

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.