SCHEMBL681679

SCHEMBL681679

CCOC(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
CASP6 P55212 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 5/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
MAPT P10636 2/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1684895 0.85
SCHEMBL10985089 0.85 ALDH1A1 (0.72) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL21695058 0.85 ALDH1A1 (0.42) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL14612909 0.85 ALDH1A1 (0.53) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL13503648 0.85 KIT (0.44) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL25589656 0.83 HRH3 (0.41) ALDH1A1POLBHTTSMN1; SMN2RECQL
SCHEMBL18500412 0.82 ALDH1A1 (0.55) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL12283671 0.80 ALDH1A1 (0.56) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL1911509 0.80 TSHR (0.57) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL13404648 0.79 CYP1A2 (0.47) ALDH1A1KDM4EMGLLMAPTKMT2A

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-10792651-B2 Synthesis and characterization of Ru alkylidene complexes UMICORE AG & CO. KG (DE) 2020-10-06 US disclosed
US-20200038851-A1 SYNTHESIS AND CHARACTERIZATION OF RU ALKYLIDENE COMPLEXES UMICORE AG & CO. KG (DE) 2020-02-06 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
EP-0318214-B1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORP (US) 1994-12-14 EP disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
US-5039676-A Fungicide, antiallergens SCHERING CORPORATION (US) 1991-08-13 US disclosed
EP-0386143-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1990-09-12 EP disclosed
WO-1989004829-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1989-06-01 WO disclosed
EP-0318214-A1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORPORATION (US) 1989-05-31 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 (9 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 4012/4885POLB 971/4885HTT 300/4885
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ALDH1A1 2932/4885POLB 1934/4885HTT 2649/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 ALDH1A1 226/4885POLB 1274/4885HTT 3542/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ALDH1A1 2932/4885POLB 1934/4885HTT 2649/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ALDH1A1 2932/4885POLB 1934/4885HTT 2649/4885
US-20200038851-A1 SYNTHESIS AND CHARACTERIZATION OF RU ALKYLIDENE COMPLEXES PORCN, ORC3, COASY ALDH1A1 1478/4885POLB 842/4885HTT 2630/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ALDH1A1 2932/4885POLB 1934/4885HTT 2649/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ALDH1A1 2932/4885POLB 1934/4885HTT 2649/4885
US-10792651-B2 Synthesis and characterization of Ru alkylidene complexes PORCN, ORC3, COASY ALDH1A1 1478/4885POLB 842/4885HTT 2630/4885

“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.