SCHEMBL21628470

SCHEMBL21628470

CNC(=O)c1ccc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
OPRK1 P41145 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
FAAH O00519 2/20 0.43
SCN9A Q15858 1/20 0.42
OPRD1 P41143 3/20 0.42
S1PR2 O95136 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MMP13 P45452 1/20 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
SCHEMBL21628760 1.00 OPRM1 (0.44) OPRM1OPRK1SMN1; SMN2HPGDTSHR
SCHEMBL21628539 0.99 HPGD (0.46) OPRM1OPRK1SMN1; SMN2HPGDTSHR
SCHEMBL21628818 0.96 HPGD (0.46) OPRM1OPRK1SMN1; SMN2HPGDTSHR
SCHEMBL21628718 0.94 HPGD (0.48) OPRM1OPRK1SMN1; SMN2HPGDTSHR
SCHEMBL21628785 0.89 HDAC6 (0.58) OPRM1OPRK1HDAC8HDAC6HDAC1
SCHEMBL21628661 0.89 HDAC6 (0.58) OPRM1OPRK1HDAC8HDAC6HDAC1
SCHEMBL21628464 0.88 HDAC6 (0.59) OPRM1OPRK1HDAC8HDAC6HDAC1
SCHEMBL21628529 0.87 ALDH1A1 (0.47) OPRM1OPRK1SMN1; SMN2HPGDHDAC8
SCHEMBL21628766 0.87 ALDH1A1 (0.47) OPRM1OPRK1SMN1; SMN2HPGDHDAC8
SCHEMBL21628463 0.86 HDAC6 (0.56) OPRM1OPRK1HDAC8HDAC6HDAC1

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 OPRM1 3978/4885OPRK1 2780/4885SMN1; SMN2 796/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRM1 4075/4885OPRK1 3124/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR OPRM1 817/4885OPRK1 684/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885SMN1; SMN2 796/4885

“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.