SCHEMBL21628672

SCHEMBL21628672

CNC(=O)c1ccc(Oc2ccc(C3CCC3)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.59
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.43
MMP13 P45452 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
HPGDS O60760 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
SCHEMBL21656867 0.98 HRH3 (0.59) HRH3OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL21628400 0.96 HRH3 (0.58) HRH3OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL21628822 0.96 HRH3 (0.58) HRH3OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL21656725 0.95 HRH3 (0.55) HRH3OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL21628427 0.89 HDAC8 (0.57) HRH3POLBSMN1; SMN2KCNH2HDAC1
SCHEMBL21656534 0.86 LMNA (0.54) HRH3POLBSMN1; SMN2KCNH2HAO1
SCHEMBL21628913 0.86 HDAC8 (0.61) HRH3POLBSMN1; SMN2HDAC1HDAC8
SCHEMBL21628899 0.85 HDAC6 (0.59) HRH3POLBSMN1; SMN2HDAC1HDAC8
SCHEMBL21656821 0.85 ALOX5AP (0.48) HRH3OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL21628888 0.84 SMN1; SMN2 (0.67) HRH3SMN1; SMN2HPGDTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HRH3 69/4885OPRM1 3978/4885OPRD1 2899/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HRH3 69/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HRH3 60/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HRH3 69/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HRH3 92/4885OPRM1 817/4885OPRD1 706/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HRH3 69/4885OPRM1 3978/4885OPRD1 2899/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HRH3 69/4885OPRM1 3978/4885OPRD1 2899/4885

“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.