SCHEMBL6959654

SCHEMBL6959654

COc1ccc2c(c1OC1CCN(Cc3ccccc3)C1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.46
ACHE P22303 5/20 0.46
BACE1 P56817 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 2/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL6959357 1.00 BCHE (0.46) BCHEACHEBACE1MEN1KMT2A
SCHEMBL6966354 1.00 BCHE (0.46) BCHEACHEBACE1MEN1KMT2A
SCHEMBL8441694 0.85 ESR1 (0.39)
SCHEMBL10606861 0.81 MCHR1 (0.55) BCHEMCHR1PRMT5WDR77
SCHEMBL6963639 0.79 MCHR1 (0.55) MCHR1PRMT5WDR77
SCHEMBL10608988 0.78 MEN1 (0.59) BCHEACHEBACE1MEN1KMT2A
Oxalic Acid SCHEMBL10605600 0.77 MCHR1 (0.51) BCHEMCHR1PRMT5WDR77
SCHEMBL8257881 0.77 PDE3B (0.36)
SCHEMBL10610498 0.75 ROCK1 (0.55) MCHR1PRMT5WDR77
SCHEMBL13460892 0.74 BCHE (0.58) BCHEACHEBACE1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 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 (1 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D BCHE 1439/4885ACHE 790/4885BACE1 1371/4885

“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.