SCHEMBL12844

SCHEMBL12844

c1cnn(CCN2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
OPRD1 P41143 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
TERT O14746 1/20 0.37
HRH1 P35367 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL28809918 1.00 DAO (0.39) DAOCYP1A2CYP3A4OPRD1HRH3
SCHEMBL13368 0.98 DAO (0.40) DAOCYP1A2CYP3A4OPRD1HRH3
SCHEMBL1456338 0.82 HTT (0.41) DAOOPRD1SIGMAR1ALDH1A1
SCHEMBL30036378 0.82 OPRD1 (0.40) DAOOPRD1SIGMAR1L3MBTL1ALDH1A1
SCHEMBL4841885 0.81 KDM1A (0.41) DAOCYP3A4OPRD1SIGMAR1L3MBTL1
SCHEMBL5465305 0.81 KDM1A (0.42) DAOOPRD1L3MBTL1ALDH1A1
SCHEMBL5713341 0.80 DAO (0.50) DAOTDP1
SCHEMBL8607491 0.79 FDPS (0.36) DAOHRH3TDP1L3MBTL1ALDH1A1
SCHEMBL23277861 0.77 OPRD1 (0.37) DAOOPRD1L3MBTL1ALDH1A1
SCHEMBL12449647 0.77 ALDH1A1 (0.45) CYP3A4HRH3L3MBTL1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-01-25 US disclosed
CN-109071454-A Sulfonylureas and related compound and application thereof 昆士兰大学 2018-12-21 CN disclosed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
CN-107428696-A Sulfonylureas and related compounds and uses thereof 昆士兰大学 2017-12-01 CN disclosed
CN-103797013-A Pyrazolo [3,4-d ] pyrimidine compounds, their preparation and use as sigma ligands ESTEVE LABOR DR 2014-05-14 CN disclosed
CN-102498110-A 2- (LH-pyrazol-4-ylamino) -pyrimidine as kinase inhibitors ABBOTT LAB 2012-06-13 CN disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US 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-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF CNR1, CNR2, FAAH DAO 3220/4885CYP1A2 735/4885CYP3A4 558/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 DAO 1967/4885CYP1A2 1619/4885CYP3A4 1261/4885

“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.