SCHEMBL21628619

SCHEMBL21628619

CN(C)C(=O)c1ccc(Oc2ccc(C3CC3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.42
OPRK1 P41145 9/20 0.42
OPRM1 P35372 8/20 0.42
OPRD1 P41143 6/20 0.42
GPR119 Q8TDV5 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
FFAR1 O14842 1/20 0.40
PARP10 Q53GL7 2/20 0.40
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 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
SCHEMBL21628620 0.95 SLC6A2 (0.46) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL21628380 0.95 SLC6A2 (0.46) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL21628723 0.94 SLC6A2 (0.45) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL21628725 0.94 SLC6A2 (0.45) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL21628536 0.84 LMNA (0.51) OPRK1OPRM1OPRD1SCN8ASCN10A
SCHEMBL21628608 0.84 USP2 (0.45) ALDH1A1HPGDOPRK1OPRM1OPRD1
SCHEMBL21628819 0.83 PARP10 (0.54) ALDH1A1OPRK1OPRM1OPRD1SCN8A
SCHEMBL21628868 0.83 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL21628718 0.82 HPGD (0.48) HPGDSMN1; SMN2SLC6A2SLC6A4OPRK1
SCHEMBL21628489 0.82 HPGD (0.71) ALDH1A1HPGDSMN1; SMN2SLC6A2SLC6A4

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 7 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-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 (5 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885HPGD 2313/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; 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.