SCHEMBL21628828

SCHEMBL21628828

COC(=O)c1cnc(Oc2ccc(C3C[C@@H]4CC[C@H]3C4)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.47
SLC6A4 P31645 6/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
MAOB P27338 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL21656880 1.00 SLC6A3 (0.47) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21628541 0.95 SLC6A3 (0.43) SLC6A3SLC6A4LMNAALOX5APFEN1
SCHEMBL21656884 0.89 SLC6A3 (0.41) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21656783 0.89 SLC6A3 (0.44) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21656650 0.89 SLC6A3 (0.42) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL25083096 0.88 SLC6A3 (0.43) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21656916 0.88 SLC6A3 (0.43) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21628503 0.88 SLC6A3 (0.42) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL25083089 0.88 SLC6A3 (0.42) SLC6A3SLC6A4MEN1KMT2APOLB
SCHEMBL21656775 0.88 SLC6A3 (0.42) SLC6A3SLC6A4MEN1KMT2APOLB

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 4 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-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-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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885MEN1 4341/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A3 4040/4885SLC6A4 3517/4885MEN1 4012/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885MEN1 4341/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885MEN1 4341/4885

“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.