SCHEMBL61509

SCHEMBL61509

CNC1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 1.00
MAOA P21397 4/20 0.59
MAOB P27338 4/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1A P35348 2/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
HTR6 P50406 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
SLC18A3 Q16572 1/20 0.51
KDM1A O60341 1/20 0.51
FADS1 O60427 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA2A P08913 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL14612385 1.00 PDPK1 (1.00) PDPK1MAOAMAOBADRA2BADRA2C
SCHEMBL2465738 1.00 PDPK1 (1.00) PDPK1MAOAMAOBADRA2BADRA2C
SCHEMBL29395031 1.00 PDPK1 (1.00) PDPK1MAOAMAOBADRA2BADRA2C
SCHEMBL61508 1.00 PDPK1 (1.00) PDPK1MAOAMAOBADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969841 0.98 PDPK1 (0.96) PDPK1MAOAMAOBADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969906 0.98 PDPK1 (0.96) PDPK1MAOAMAOBADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969849 0.98 PDPK1 (0.96) PDPK1MAOAMAOBADRA2BADRA2C
SCHEMBL61380 0.88 PDPK1 (0.79) PDPK1ADRA2BADRA2CADRA1AADRA2A
SCHEMBL61094 0.88 PDPK1 (0.79) PDPK1ADRA2BADRA2CADRA1AADRA2A
SCHEMBL61095 0.88 PDPK1 (0.79) PDPK1ADRA2BADRA2CADRA1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782252-B2 2011-09-28 JP claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US claimed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
EP-4142732-B1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2026-04-22 EP disclosed
US-20250109122-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2025-04-03 US disclosed
US-12202817-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2025-01-21 US disclosed
US-20240140932-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2024-05-02 US disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US disclosed
US-5292893-A Catalytic asymmetric and non-asymmetric reduction of times and oximes using metal catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-08 US disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
EP-0555824-A1 N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO disclosed
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 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 (5 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-12202817-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI PDPK1 857/4885MAOA 2238/4885MAOB 1194/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PDPK1 772/4885MAOA 2112/4885MAOB 1496/4885
US-20250109122-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI PDPK1 857/4885MAOA 2238/4885MAOB 1194/4885
US-20240140932-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI PDPK1 857/4885MAOA 2238/4885MAOB 1194/4885
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 PDPK1 1131/4885MAOA 58/4885MAOB 124/4885

“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.