SCHEMBL653530

SCHEMBL653530

NCCc1cc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.71
HRH3 Q9Y5N1 3/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
AOC3 Q16853 2/20 0.50
CHRNA7 P36544 2/20 0.49
IDO1 P14902 1/20 0.48
AHR P35869 1/20 0.47
HRH4 Q9H3N8 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
Bromide SCHEMBL28679046 0.98 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
Iodide SCHEMBL28690475 0.98 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
Hydrochloric Acid SCHEMBL28686778 0.98 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL1713962 0.89 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BAOC3
Indole SCHEMBL6823823 0.88 LOXL2 (0.57) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL7169246 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL31059889 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL30254704 0.87 LOXL2 (0.59) LOXL2HRH3MTNR1AMTNR1BAOC3
SCHEMBL8376332 0.87 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BAOC3
Hydrochloric Acid SCHEMBL27539522 0.87 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118984868-A Genetically modified organisms for the production of psychotropic alkaloids 恩派瑞安神经科学公司 2024-11-19 CN claimed
US-20230416794-A1 Engineered Microorganisms for Producing Substituted Tryptamines ALGAE C INC (CA) 2023-12-28 US claimed
EP-4244333-A1 ENGINEERED MICROORGANISMS FOR PRODUCING SUBSTITUTED TRYPTAMINES Algae-C Inc. (CA) 2023-09-20 EP claimed
CN-114748681-B Injectable self-healing hydrogel dressing and preparation method and application thereof 四川大学 2023-03-10 CN claimed
CN-114213395-B Pyrimidone acyl piperazine compound and preparation method and application thereof 山东大学 2022-10-25 CN claimed
CN-114748681-A Injectable self-healing hydrogel dressing and preparation method and application thereof 四川大学 2022-07-15 CN claimed
WO-2022099424-A1 ENGINEERED MICROORGANISMS FOR PRODUCING SUBSTITUTED TRYPTAMINES ALGAE-C INC. (CA) 2022-05-19 WO claimed
EP-3989992-A2 THERAPEUTIC COMPOSITIONS AND METHODS OF USING SEROTONIN MODULATING MICROBIOME-BASED INTERVENTIONS TO TREAT SEROTONIN-RELATED DISEASES OR DISORDERS Holobiome, Inc. (US) 2022-05-04 EP claimed
CN-114213395-A Pyrimidone acyl piperazine compound and preparation method and application thereof 山东大学 2022-03-22 CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
EP-2066700-B1 DEXTRAN FUNCTIONALIZED WITH HYDROPHOBIC AMINO ACIDS ADOCIA (FR) 2015-11-11 EP claimed
WO-2014089121-A2 RETROGRADE DELIVERY OF CELLS AND NUCLEIC ACIDS FOR TREATMENT OF CARDIOVASCULAR DISEASES ICHIM THOMAS (US) 2014-06-12 WO claimed
US-8546356-B2 Administration form of osteogenic protein complexes ADOCIA (FR) 2013-10-01 US claimed
US-8497253-B2 2013-07-30 US claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US claimed
US-20100167984-A1 Complex between human insulin and an amphiphilic polymer and use of this complex in the preparation of a fast-acting human insulin formulation ADOCIA (FR) 2010-07-01 US claimed
US-20100166867-A1 Novel administration form of osteogenic protein complexes ADOCIA (FR) 2010-07-01 US claimed
US-20100137456-A1 Polysaccharides functionalized by tryptophan derivatives ADOCIA (FR) 2010-06-03 US claimed
CN-101631804-A Dextran functionalized with hydrophobic amino acids ADOCIA 2010-01-20 CN claimed
WO-2000070027-A1 MATERIALS AND METHODS FOR ENZYMATIC N-ACETYLATION OF ARYLALKYLAMINES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTHA ND HUMAN SERVICES (US) 2000-11-23 WO claimed

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-20100166867-A1 Novel administration form of osteogenic protein complexes BMP2, SOST, SDF4 LOXL2 3421/4885HRH3 4622/4885MTNR1A 3755/4885
US-20100167984-A1 Complex between human insulin and an amphiphilic polymer and use of this complex in the preparation of a fast-acting human insulin formulation IAPP, IRS1, GPR119 LOXL2 4777/4885HRH3 2196/4885MTNR1A 315/4885
US-20100137456-A1 Polysaccharides functionalized by tryptophan derivatives TPH1, TPH2, IDO1 LOXL2 3594/4885HRH3 347/4885MTNR1A 194/4885

“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.