SCHEMBL20778596

SCHEMBL20778596

O=C(NCc1ccc2c(c1)CCO2)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
HTT P42858 1/20 0.68
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.51
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
FAAH O00519 1/20 0.47
HPGD P15428 1/20 0.47
GSK3B P49841 1/20 0.46
RYR2 Q92736 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL3620383 0.82 RAB9A (0.70) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL9371939 0.81 ALDH1A1 (1.00) ALDH1A1HTTRAB9ANPC1MAPT
SCHEMBL20051405 0.79 RAB9A (0.66) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL29177443 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL22495472 0.78 RAB9A (0.65) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL9372710 0.76 ALDH1A1 (0.65) ALDH1A1HTTRAB9ANPC1FAAH
SCHEMBL17346751 0.75 ALDH1A1 (0.63) ALDH1A1HTTRAB9ANPC1MAPT
SCHEMBL3282688 0.75 TSHR (0.68) ALDH1A1HTTRAB9ANPC1FAAH
SCHEMBL25567809 0.74 GRM5 (0.52) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL10284627 0.74 EGLN1 (0.61) ALDH1A1RAB9ANPC1POLBMAPT

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-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 US disclosed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US disclosed
WO-2019040107-A1 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 (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-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885HTT 165/4885RAB9A 1278/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885HTT 165/4885RAB9A 1278/4885

“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.