SCHEMBL21628895

SCHEMBL21628895

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
SLC6A2 P23975 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
IGFBP3 P17936 1/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A3 Q01959 1/20 0.42
FFAR1 O14842 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAF1 P04049 1/20 0.40

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
SCHEMBL21628898 0.90 SLC6A2 (0.53) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628846 0.90 SLC6A2 (0.53) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628891 0.90 SLC6A2 (0.52) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628382 0.88 SLC6A2 (0.51) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628842 0.87 SLC6A2 (0.50) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628755 0.85 SLC6A2 (0.51) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628868 0.85 ALDH1A1 (0.54) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21656909 0.84 SLC6A2 (0.52) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL21656739 0.83 IGFBP3 (0.59) IGFBP3MAPTKDM4ERAB9AMAPK1
SCHEMBL21628628 0.83 ALDH1A1 (0.73) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HPGD

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 SLC6A4 3395/4885SLC6A2 2765/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A4 3517/4885SLC6A2 3104/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A4 3395/4885SLC6A2 2765/4885SMN1; SMN2 796/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A4 3395/4885SLC6A2 2765/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A4 3395/4885SLC6A2 2765/4885SMN1; 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.