SCHEMBL5042762

SCHEMBL5042762

c1cc([C@H]2CCNC2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.60
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
JAK3 P52333 1/20 0.45
HTR2C P28335 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL1189629 1.00 HTR3A (0.60) HTR3ASLC18A3SIGMAR1JAK3HTR2C
Hydrochloric Acid SCHEMBL3543860 0.98 HTR3A (0.58) HTR3ASLC18A3SIGMAR1JAK3HTR2C
Hydrochloric Acid SCHEMBL5874037 0.98 HTR3A (0.58) HTR3ASLC18A3SIGMAR1JAK3HTR2C
SCHEMBL3255979 0.90 HTR3A (0.48) HTR3A
SCHEMBL373584 0.87 SLC18A3 (0.61) HTR3ASLC18A3SIGMAR1HTR2CMKNK1
Hydrochloric Acid SCHEMBL27942946 0.85 SLC18A3 (0.59) HTR3ASLC18A3SIGMAR1HTR2CMKNK1
Hydrochloric Acid SCHEMBL31401438 0.82 SLC18A3 (0.52) HTR3ASLC18A3SIGMAR1HTR2CMKNK1
SCHEMBL2720916 0.82 CHRNB4 (0.44) HTR3A
Hydrochloric Acid SCHEMBL8128177 0.80 CHRNB4 (0.43) HTR3A
Hydrochloric Acid SCHEMBL1742230 0.80 CHRNB4 (0.43) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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 (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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R HTR3A 133/4885SLC18A3 1402/4885SIGMAR1 633/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R HTR3A 133/4885SLC18A3 1402/4885SIGMAR1 633/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HTR3A 4363/4885SLC18A3 4801/4885SIGMAR1 4596/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HTR3A 4363/4885SLC18A3 4801/4885SIGMAR1 4596/4885

“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.