SCHEMBL491107

SCHEMBL491107

c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.58
MAOA P21397 4/20 0.58
GRIN2B Q13224 2/20 0.53
FUCA1 P04066 1/20 0.50
SSTR3 P32745 3/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 3/20 0.46
EPHX1 P07099 1/20 0.46
HPGD P15428 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
SCHEMBL2798417 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2936924 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2197651 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2198525 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2197644 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL17822680 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL16799767 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL18129441 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Ammonia Solution, Strong SCHEMBL2987109 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL17822672 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086240-B1 PYRROLIDINONE HERBICIDES FMC CORP (US) 2025-02-05 EP disclosed
US-12077525-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2024-09-03 US disclosed
US-12077503-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2024-09-03 US disclosed
CN-118440059-A Herbicidal mixtures 先正达农作物保护股份公司 2024-08-06 CN disclosed
EP-3921307-B1 PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-26 EP disclosed
CN-114773400-B Rhodium complex, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2024-04-26 CN disclosed
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 US disclosed
US-11851420-B2 Pyrazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2023-12-26 US disclosed
CN-113423690-B Pyrazole derivatives 先正达农作物保护股份公司 2023-12-22 CN disclosed
US-11787765-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2023-10-17 US disclosed
EP-1765812-B1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
WO-2009000202-A1 CHIRAL PHOSPHORAMIDES, CHIRAL N-PHOSPHONIMINES AND METHODS FOR FORMING THE SAME NOWA PHARMACEUTICALS CO., LTD (CN) 2008-12-31 WO disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
WO-2008003809-A1 ANTITUMOUR COMPOUNDS PHARMA MAR, S.A. (ES) 2008-01-10 WO disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 US disclosed
EP-0558656-B1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INST TECHNOLOGY (US) 1996-04-17 EP disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 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 (7 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-11851420-B2 Pyrazole derivatives RB1, CBR3, CYP1B1 KDM1A 257/4885MAOA 2766/4885GRIN2B 1426/4885
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 KDM1A 3387/4885MAOA 409/4885GRIN2B 521/4885
US-12077525-B2 Herbicidal compounds DDT, ACHE, CAT KDM1A 1090/4885MAOA 824/4885GRIN2B 265/4885
US-11787765-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 KDM1A 796/4885MAOA 1121/4885GRIN2B 1289/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 KDM1A 801/4885MAOA 1104/4885GRIN2B 1290/4885
US-12077503-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 KDM1A 801/4885MAOA 1104/4885GRIN2B 1290/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 KDM1A 600/4885MAOA 2299/4885GRIN2B 2885/4885

“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.