SCHEMBL4425041

SCHEMBL4425041

NCC1CCc2nc(N)sc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.52
DRD3 P35462 5/20 0.52
HRH2 P25021 2/20 0.52
ADRA2A P08913 2/20 0.52
DRD4 P21917 2/20 0.52
ADRB2 P07550 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51

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
Bromide SCHEMBL4429410 0.98 DRD2 (0.51) DRD2DRD3HRH2ADRA2ADRD4
Thiourea SCHEMBL6094460 0.92 DRD2 (0.47) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL6866770 0.87 DRD2 (0.50) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL8280705 0.85 DRD3 (0.58) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL28098769 0.84 DRD2 (0.53) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810245 0.82 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810241 0.82 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810238 0.82 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL5809870 0.81 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL28039363 0.81 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4

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
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
EP-2101766-B1 COMPOSITIONS AND METHODS OF USING (R)-PRAMIPEXOLE KNOPP BIOSCIENCES LLC (US) 2016-09-21 EP disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 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 (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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 DRD2 4697/4885DRD3 4827/4885HRH2 4319/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 DRD2 4697/4885DRD3 4827/4885HRH2 4319/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 DRD2 4776/4885DRD3 4690/4885HRH2 2531/4885

“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.