SCHEMBL6899530

SCHEMBL6899530

NCCCc1ccc2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 15/20 0.47
HRH1 P35367 1/20 0.46
PDE10A Q9Y233 2/20 0.46
OXGR1 Q96P68 2/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20156313 0.89 HRH1 (0.50) SUCNR1HRH1PDE10AOXGR1ALDH1A1
SCHEMBL30930276 0.83 SUCNR1 (0.50) SUCNR1PDE10AOXGR1
SCHEMBL6129289 0.83 KCNH2 (0.55) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL276117 0.83 SUCNR1 (0.50) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL19952703 0.82 ALDH1A1 (0.47) SUCNR1HRH1PDE10AOXGR1ALDH1A1
SCHEMBL20517681 0.81 SUCNR1 (0.49) SUCNR1PDE10AOXGR1
SCHEMBL12895009 0.80 PDE10A (0.49) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL29797374 0.80 SUCNR1 (0.45) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL20153361 0.80 SUCNR1 (0.45) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL3395898 0.79 HSP90AA1 (0.45) HRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
US-8901144-B2 Fluorinated 3-(2-oxo-3-(3-arylpropyl)imidazolidin-1-yl)-3-arylpropanoic acid derivatives SCIFLUOR LIFE SCIENCES, LLC (US) 2014-12-02 US disclosed
US-8901144-B2 Fluorinated 3-(2-oxo-3-(3-arylpropyl)imidazolidin-1-yl)-3-arylpropanoic acid derivatives SCIFLUOR LIFE SCIENCES, LLC (US) 2014-12-02 US disclosed
US-20140221410-A1 Fluorinated 3-(2-Oxo-3-(3-Arylpropyl)Imidazolidin-1-yl)-3-Arylpropanoic Acid Derivatives SCIFLUOR LIFE SCIENCES, LLC (US) 2014-08-07 US disclosed
US-20140221410-A1 Fluorinated 3-(2-Oxo-3-(3-Arylpropyl)Imidazolidin-1-yl)-3-Arylpropanoic Acid Derivatives SCIFLUOR LIFE SCIENCES, LLC (US) 2014-08-07 US disclosed
EP-1235828-B1 PROCESS AND INTERMEDIATES TO A TETRAHYDRO-[1,8]-NAPHTHYRIDINE MERCK & CO INC (US) 2004-01-21 EP disclosed
EP-1235828-A4 PROCESS AND INTERMEDIATES TO A TETRAHYDRO-[1,8]-NAPHTHYRIDINE MERCK & CO INC (US) 2003-01-22 EP disclosed
EP-1235828-A1 PROCESS AND INTERMEDIATES TO A TETRAHYDRO-[1,8]-NAPHTHYRIDINE Merck & Co., Inc. (US) 2002-09-04 EP disclosed
US-6423845-B1 CYCLIZATION A 2-AMINO-3-FORMYLPYRIDINE COMPOUND; BONE DISORDERS, OSTEOPOROSIS MERCK & CO., INC. 2002-07-23 US disclosed
WO-2001038328-A1 PROCESS AND INTERMEDIATES TO A TETRAHYDRO-[1,8]-NAPHTHYRIDINE MERCK & CO., INC. (US) 2001-05-31 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 (1 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-20140221410-A1 Fluorinated 3-(2-Oxo-3-(3-Arylpropyl)Imidazolidin-1-yl)-3-Arylpropanoic Acid Derivatives ITGB3, ITGA2, ITGA1 SUCNR1 825/4885HRH1 1377/4885PDE10A 2501/4885

“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.