SCHEMBL18700413

SCHEMBL18700413

COC(=O)[C@@H]1CNC[C@H]1c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
BACE1 P56817 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
FPR1 P21462 2/20 0.43

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
SCHEMBL14353917 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1KCNH2
SCHEMBL1818053 0.86 KCNH2 (0.47) BACE1KCNH2KDM1AMAOAMAOB
SCHEMBL1818050 0.86 KCNH2 (0.47) BACE1KCNH2KDM1AMAOAMAOB
SCHEMBL1818047 0.86 KCNH2 (0.47) BACE1KCNH2KDM1AMAOAMAOB
SCHEMBL23941884 0.85 KCNH2 (0.47) KCNH2KDM1AMAOAMAOBCHRNB2
SCHEMBL16033453 0.85 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16070070 0.85 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2306589 0.85 SLC6A4 (0.50) SLC6A4SLC6A3
SCHEMBL16033454 0.85 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27405566 0.85 SLC6A4 (0.50) SLC6A4SLC6A3

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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
EP-3150578-B1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-14 EP disclosed
EP-3150578-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2017-04-05 EP 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 (2 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 SLC6A2 1851/4885SLC6A4 3504/4885SLC6A3 2396/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 SLC6A2 1851/4885SLC6A4 3504/4885SLC6A3 2396/4885

“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.