SCHEMBL9455273

SCHEMBL9455273

CCN(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.58
▸ LTA4H P09960 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ G6PC1 P35575 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL9454768 0.98 GRIN2B (0.57) GRIN2BLTA4HL3MBTL1SLC6A2SLC6A4
SCHEMBL3375958 0.98 GRIN2B (0.60) GRIN2BLTA4HL3MBTL1SLC6A2SLC6A4
SCHEMBL3371525 0.91 GRIN2B (0.63) GRIN2BLTA4HSLC6A2SLC6A4KDM4E
SCHEMBL515999 0.89 G6PC1 (0.54) GRIN2BSLC6A2SLC6A4G6PC1ALDH1A1
SCHEMBL28410816 0.89 G6PC1 (0.54) GRIN2BSLC6A2SLC6A4G6PC1ALDH1A1
SCHEMBL7885548 0.89 G6PC1 (0.54) GRIN2BSLC6A2SLC6A4G6PC1ALDH1A1
SCHEMBL3373138 0.87 SLC6A2 (0.51) GRIN2BSLC6A2SLC6A4G6PC1ALDH1A1
SCHEMBL27687125 0.85 GRIN2B (0.51) GRIN2BLTA4HL3MBTL1SLC6A2SLC6A4
SCHEMBL13017781 0.85 SLC6A2 (0.53) GRIN2BSLC6A2SLC6A4G6PC1ALDH1A1
SCHEMBL3376642 0.84 KMT2A (0.57) GRIN2BLTA4HSLC6A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 — — US claimed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 — — EP claimed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 — — WO claimed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 — — WO disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 — — EP disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 — — US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 — — US disclosed
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 — — US disclosed
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 — — US disclosed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 — — EP disclosed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 — — EP disclosed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 — — WO disclosed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 — — 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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 GRIN2B 2059/4885LTA4H 487/4885L3MBTL1 3202/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 GRIN2B 2059/4885LTA4H 487/4885L3MBTL1 3202/4885

“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.

Send feedback