SCHEMBL9657296

SCHEMBL9657296

Cn1cnc(-c2cccc(Br)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56
IDO1 P14902 2/20 0.45
METAP2 P50579 1/20 0.45
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPC1 O15118 3/20 0.43
HCRTR1 O43613 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL8258647 0.80 CYP2E1 (0.57) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL1725165 0.79 CYP2E1 (0.51) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL11747500 0.79 CYP2E1 (0.42) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL311156 0.79 CYP2E1 (0.65) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL23539461 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30133185 0.79 HSD17B1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL3919604 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30042352 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17304016 0.76 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL21566689 0.76 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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 11 patents. 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-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US 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
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed
US-20220089538-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 US disclosed
US-5128335-A Antibiotics MERCK & CO., INC. (US) 1992-07-07 US disclosed
EP-0481662-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-22 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 (3 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-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP2E1 931/4885CYP2A6 977/4885CYP2C9 923/4885
US-20220089538-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP2E1 913/4885CYP2A6 976/4885CYP2C9 914/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2E1 913/4885CYP2A6 976/4885CYP2C9 914/4885

“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.