SCHEMBL223932

SCHEMBL223932

[c]1ccc2c(n1)CNCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 3/20 0.38
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ASIC3 Q9UHC3 1/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL4986870 0.86 HTR2C (0.41) PNMTCD44MAOBHTR2CCHRNB2
SCHEMBL611712 0.85 PNMT (0.41) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL337488 0.78 PNMT (0.34) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL156197 0.71 ADRA2A (0.35) HTR2CADRA2AADRA2BADRA2CHTR2A
SCHEMBL17986607 0.69 ADRA2A (0.34) HTR2CADRA2AADRA2BADRA2CHTR2A
SCHEMBL338410 0.69 ADRA2A (0.34) HTR2CADRA2AADRA2BADRA2CHTR2A
SCHEMBL10272539 0.69 HTR2C (0.45) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL1593106 0.69 HTR2C (0.41) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL4440094 0.68 CYP3A4 (0.43) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL4341019 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118926-A1 4-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF THE KRAS(G12D) MUTANT ONCOPROTEIN FOR THE TREATMENT OF CANCER RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2024-06-06 WO claimed
CN-117157299-B Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-28 CN claimed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US claimed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US claimed
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US claimed
CN-117624169-A 5-HT of the type 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2024-03-01 CN claimed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP claimed
CN-117157299-A Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2023-12-01 CN claimed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN claimed
EP-4263547-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-25 EP claimed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP claimed
WO-2022128853-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-23 WO claimed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN claimed
CN-114599652-A Hydropyrazino [1,2-d ] [1,4] diazepin compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-06-07 CN claimed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US claimed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP claimed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 WO claimed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN claimed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO claimed
WO-2019141096-A1 SUBSTITUTED UREA COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO claimed

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-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 PNMT 4607/4885CD44 3334/4885MAOB 2782/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA PNMT 2935/4885CD44 4772/4885MAOB 539/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 PNMT 2408/4885CD44 2825/4885MAOB 68/4885
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD PNMT 3314/4885CD44 4478/4885MAOB 195/4885

“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.