SCHEMBL20767015

SCHEMBL20767015

O=C(O)N1CCC(NCc2ccc(F)cc2F)C(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
SIGMAR1 Q99720 2/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2R P25116 1/20 0.39
EPHX2 P34913 1/20 0.39
USP30 Q70CQ3 2/20 0.39
DPP4 P27487 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL20765874 0.84 MEN1 (0.50) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL20766019 0.84 MEN1 (0.50) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL20765860 0.84 MEN1 (0.50) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL20765997 0.84 MEN1 (0.50) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL20766410 0.84 GPR119 (0.52) EPHX2USP30DPP4SMN1; SMN2
SCHEMBL20766340 0.83 BCHE (0.62) BCHEACHEBACE1SIGMAR1HTR2A
SCHEMBL3359407 0.79 NPSR1 (0.45) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL1576937 0.79 NPSR1 (0.45) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL4873651 0.79 NPSR1 (0.45) BCHEACHEBACE1ALDH1A1F2R
SCHEMBL4482088 0.74 OPRL1 (0.53) BCHEACHEBACE1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO 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-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 BCHE 451/4885ACHE 987/4885BACE1 1889/4885

“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.