SCHEMBL1013890

SCHEMBL1013890

c1cnc2c(n1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 6/20 0.37
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
PNMT P11086 4/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
OGA O60502 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
PLD1 Q13393 1/20 0.31
PKN2 Q16513 1/20 0.31

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
SCHEMBL195162 0.87 PLD1 (0.39) POLBSMN1; SMN2HTR2CHTR2AHTR2B
SCHEMBL846820 0.81
Hydrochloric Acid SCHEMBL26094262 0.78 CHRNB4 (0.32) KDM4EALDH1A1
SCHEMBL3992069 0.73 POLB (0.34) POLBSMN1; SMN2HTR2CPNMTCD44
SCHEMBL3987628 0.73 HTR2C (0.33) POLBSMN1; SMN2HTR2CPNMTCD44
SCHEMBL1593199 0.72 POLB (0.33) POLBSMN1; SMN2HTR2C
SCHEMBL588622 0.72 PNMT (0.52) POLBSMN1; SMN2HTR2CHTR2AHTR2B
SCHEMBL20909688 0.72 POLB (0.40) POLBSMN1; SMN2HTR2CHTR2AHTR2B
SCHEMBL1868815 0.72 HTR2C (0.33) POLBSMN1; SMN2HTR2C
SCHEMBL18883052 0.72 HTR2C (0.42) POLBSMN1; SMN2HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092076-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2026-04-02 US disclosed
EP-4695243-A1 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
US-20260007654-A1 METHODS OF TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITOR DOSING FIELD OF THE INVENTION NOVARTIS AG (CH) 2026-01-08 US disclosed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
EP-4561702-A1 METHODS OF TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITOR DOSING FIELD OF THE INVENTION Novartis AG (CH) 2025-06-04 EP disclosed
CN-119486737-A Methods of administering tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2025-02-18 CN disclosed
WO-2024213552-A1 NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 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 (6 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 POLB 3403/4885SMN1; SMN2 1615/4885HTR2C 54/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 POLB 2060/4885SMN1; SMN2 3655/4885HTR2C 2924/4885
US-20260007654-A1 METHODS OF TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITOR DOSING FIELD OF THE INVENTION AKR1C3, AKR1C2, AKR1C4 POLB 1230/4885SMN1; SMN2 2631/4885HTR2C 2071/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 POLB 2060/4885SMN1; SMN2 3655/4885HTR2C 2924/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 POLB 2060/4885SMN1; SMN2 3655/4885HTR2C 2924/4885
US-20260092076-A1 NOVEL COMPOUNDS NOD1, NLRP3, ARRB1 POLB 4381/4885SMN1; SMN2 4503/4885HTR2C 765/4885

“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.