SCHEMBL22491582

SCHEMBL22491582

Cn1nc(C2CCNCC2)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
CYP1A2 P05177 3/20 0.42
GRM4 Q14833 3/20 0.42
HTR1A P08908 2/20 0.41
HTR6 P50406 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.36
CNR1 P21554 2/20 0.36
APP P05067 1/20 0.36
KHK P50053 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL29734603 1.00 DDB1 (0.43) DDB1CRBNCYP1A2GRM4HTR1A
SCHEMBL20030887 0.89 KCNH2 (0.45) DDB1CRBNHTR1AHTR6MAPK1
SCHEMBL8127288 0.83 DDB1 (0.43) DDB1CRBNCYP1A2GRM4HTR1A
SCHEMBL10737866 0.83 DDB1 (0.43) DDB1CRBNCYP1A2GRM4SLC6A4
SCHEMBL29688897 0.83 DDB1 (0.43) DDB1CRBNCYP1A2GRM4HTR1A
Hydrochloric Acid SCHEMBL10395915 0.82 DDB1 (0.43) DDB1CRBNCYP1A2GRM4HTR1A
Hydrochloric Acid SCHEMBL10396669 0.82 DDB1 (0.43) DDB1CRBNCYP1A2GRM4SLC6A4
SCHEMBL13201149 0.80 HTR2C (0.46) DDB1CRBNCYP1A2GRM4MAPK1
SCHEMBL31426763 0.80 DDB1 (0.52) DDB1CRBNCYP1A2GRM4HTR6
SCHEMBL27139046 0.80 DDB1 (0.52) DDB1CRBNCYP1A2GRM4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed
CN-111386269-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2020-07-07 CN 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 (4 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC DDB1 4559/4885CRBN 1161/4885CYP1A2 414/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY DDB1 2680/4885CRBN 206/4885CYP1A2 10/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC DDB1 4559/4885CRBN 1161/4885CYP1A2 414/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY DDB1 2680/4885CRBN 206/4885CYP1A2 10/4885

“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.