SCHEMBL3539353

SCHEMBL3539353

Cc1ccc(N2CCCC2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.68
HPGD P15428 3/20 0.56
MAPT P10636 10/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 1/20 0.49
ALOX15 P16050 3/20 0.48

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
SCHEMBL22818552 0.98 ADRB1 (0.66) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL8390975 0.98 ADRB1 (0.66) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL24140572 0.95 ADRB1 (0.68) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL14503598 0.86 ADRB1 (0.53) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL13900670 0.83 MAPT (0.61) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL5231120 0.83 ADRB1 (0.86) ADRB1HTR7
SCHEMBL8320347 0.83 ADRB1 (0.63) ADRB1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8264511 0.83 MAPT (0.68) ADRB1HPGDMAPTKMT2AMEN1
SCHEMBL22754166 0.82 L3MBTL3 (0.68) ADRB1L3MBTL1
SCHEMBL8320341 0.81 ADRB1 (0.61) ADRB1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548470-B1 5,5-DISUBSTITUTED LUCIFERINS AND THEIR USE IN LUCIFERASE-BASED ASSAYS PROMEGA CORP (US) 2023-11-01 EP disclosed
WO-2023020457-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-02-23 WO disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 US disclosed
US-7507524-B2 Azo-metal chelate dye and optical recording medium MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2009-03-24 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-20070054219-A1 Azo-metal chelate dye and optical recording medium MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2007-03-08 US disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5188924-A Dimensional precision, stability KABUSHIKI KAISHA TOSHIBA (JP) 1993-02-23 US 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 (3 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB ADRB1 379/4885HPGD 4601/4885MAPT 2667/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB ADRB1 379/4885HPGD 4601/4885MAPT 2667/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A ADRB1 46/4885HPGD 358/4885MAPT 1530/4885

“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.