SCHEMBL5264530

SCHEMBL5264530

CC(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.52
SLC6A4 P31645 2/20 0.50
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8986807 1.00 LOXL2 (0.62) LOXL2TAAR1SLC6A2SLC6A3IDO1
SCHEMBL11601065 1.00 LOXL2 (0.62) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL6849321 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL6849318 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL9116903 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL9194807 0.92 ALDH1A1 (0.58) LOXL2TAAR1SLC6A2SLC6A3IDO1
SCHEMBL5715396 0.84 LOXL2 (0.55) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL16449786 0.83 KMT2A (0.49) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL19938078 0.81 LOXL2 (0.58) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL8855359 0.81 TSHR (0.55) LOXL2IDO1KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297346-A PSYCHOACTIVE DRUGS BONDED TO NEUROPEPTIDES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1981-10-27 US claimed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US claimed
CN-117357503-B Use of p-hydroxyphenylacetamide in the treatment of psychotic disorders 中国人民解放军军事科学院军事医学研究院 2024-03-08 CN disclosed
CN-117357503-A Use of p-hydroxyphenylacetamide in the treatment of psychotic disorders 中国人民解放军军事科学院军事医学研究院 2024-01-09 CN disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
WO-1998008502-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA[b]BENZOFURANS ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
EP-0404146-B1 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORP (US) 1996-03-20 EP disclosed
EP-0404146-A2 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORPORATION (US) 1990-12-27 EP disclosed
EP-0371253-A2 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LABORATORIES (US) 1990-06-06 EP disclosed
US-4297346-A PSYCHOACTIVE DRUGS BONDED TO NEUROPEPTIDES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1981-10-27 US disclosed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 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 (5 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-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 LOXL2 4560/4885TAAR1 4319/4885SLC6A2 1004/4885
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP LOXL2 2215/4885TAAR1 4174/4885SLC6A2 3436/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 LOXL2 4490/4885TAAR1 3891/4885SLC6A2 2216/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 LOXL2 4560/4885TAAR1 4319/4885SLC6A2 1004/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP LOXL2 2146/4885TAAR1 4189/4885SLC6A2 3422/4885

“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.