SCHEMBL992724

SCHEMBL992724

CCOP(=O)(Cc1ccccn1)OCC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
FDPS P14324 2/20 0.44
KCNA5 P22460 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH1 P35367 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2955427 0.83 HRH3 (0.49) ALDH1A1FDPSKCNA5HRH3HRH1
SCHEMBL707791 0.82 TSHR (0.47) ALDH1A1FDPSKCNA5HPGDHSD17B10
SCHEMBL5010543 0.80 PGK1 (0.52) NPSR1HPGD
SCHEMBL9111289 0.80 TSHR (0.44) ALDH1A1FDPSHRH3HRH1
SCHEMBL23801890 0.78 NAMPT (0.38)
SCHEMBL21518588 0.78 ALDH1A1 (0.51) ALDH1A1FDPSKCNA5HRH3HRH1
SCHEMBL8538608 0.78 CTDSP1 (0.48) NPSR1
SCHEMBL14260472 0.77 CHRM2 (0.51) ALDH1A1HPGDHSD17B10
Diethyl Hydrogen Phosphate SCHEMBL4953245 0.77 FDPS (0.49) ALDH1A1FDPSKCNA5HPGDHSD17B10
SCHEMBL3315956 0.77 ALDH1A1 (0.48) ALDH1A1NPSR1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed
WO-2022063784-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 WO disclosed
US-20220089538-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 US disclosed
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-12-29 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0646007-A4 1995-04-26 EP disclosed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 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 (5 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-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof EPOR, CD47, DHPS ALDH1A1 117/4885FDPS 197/4885KCNA5 4770/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 472/4885FDPS 1465/4885KCNA5 2071/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 ALDH1A1 127/4885FDPS 1142/4885KCNA5 4769/4885
US-20220089538-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 450/4885FDPS 1471/4885KCNA5 2018/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 450/4885FDPS 1471/4885KCNA5 2018/4885

“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.