SCHEMBL1868872

SCHEMBL1868872

NCCc1ccccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.68
ADRA2C P18825 1/20 0.59
TAAR1 Q96RJ0 8/20 0.56
HTR2A P28223 2/20 0.52
MAOB P27338 2/20 0.50
BACE1 P56817 1/20 0.47
HRH1 P35367 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Boric Acid SCHEMBL28704755 0.92 DPP4 (0.59) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL29512902 0.91 DPP4 (0.57) DPP4ADRA2CTAAR1HTR2AMAOB
Boric Acid SCHEMBL29044400 0.89 DPP4 (0.55) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL9839608 0.87 TAAR1 (0.52) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL27472829 0.87 DPP4 (0.63) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL11333152 0.85 DPP4 (0.65) DPP4ADRA2CKMT2ACYP2A6MAPK1
SCHEMBL8910780 0.85 DPP4 (0.61) DPP4ADRA2CTAAR1BACE1HRH1
SCHEMBL27625441 0.84 DPP4 (0.50) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL10586853 0.84 ADRA2C (0.49) DPP4ADRA2CTAAR1HTR2AMAOB
SCHEMBL9200168 0.84 TAAR1 (0.53) DPP4ADRA2CTAAR1HTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582863-B Aminoethyl biphenyl compound and preparation method and application thereof 沈阳农业大学 2023-05-26 CN claimed
CN-113861633-B P-N-B flame-retardant PBS plastic and preparation method thereof 武汉工程大学 2022-12-20 CN claimed
CN-113861633-A P-N-B flame-retardant PBS plastic and preparation method thereof 武汉工程大学 2021-12-31 CN claimed
CN-113582863-A Aminoethylbiphenyl compound, and preparation method and application thereof 沈阳农业大学 2021-11-02 CN claimed
CN-113527362-A Method for synthesizing chiral phosphoramidite ligand based on R-2-phenylethylamine 南京理工大学 2021-10-22 CN claimed
CN-110982024-A Hydroxy benzene ring block emulsion polymer for nano powder and ATRP preparation method thereof 湖北工业大学 2020-04-10 CN claimed
CN-102936301-A Tridentate Schiff base titanium-based olefin polymerization catalyst and preparation method and application thereof UNIV FUDAN 2013-02-20 CN claimed
CN-112834740-B Peptide-like oligomer, preparation method thereof, pharmaceutical composition and microfluidic chip 北京旌准医疗科技有限公司 2023-10-24 CN disclosed
CN-113582863-B Aminoethyl biphenyl compound and preparation method and application thereof 沈阳农业大学 2023-05-26 CN disclosed
CN-113582863-B Aminoethyl biphenyl compound and preparation method and application thereof 沈阳农业大学 2023-05-26 CN disclosed
CN-113582863-B Aminoethyl biphenyl compound and preparation method and application thereof 沈阳农业大学 2023-05-26 CN disclosed
US-11591370-B2 Peptoid compound and manufacturing method thereof, oligomer, pharmaceutical composition, and kit Beijing Boe Technology Development Co., Ltd. (CN) 2023-02-28 US disclosed
CN-113861633-B P-N-B flame-retardant PBS plastic and preparation method thereof 武汉工程大学 2022-12-20 CN disclosed
US-6399785-B1 BIOSYNTHESIS; LIBRARY OF COMPOUNDS; DRUGS C-SIXTY, INC. (CA) 2002-06-04 US disclosed
US-6284735-B1 OLIGOPEPTIDE LION BIOSCIENCE AG (DE) 2001-09-04 US disclosed
EP-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP disclosed
US-6150335-A TREATMENT FOR PAIN ASTRA AB (SE) 2000-11-21 US disclosed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
EP-0946588-A1 USE OF DIPEPTIDE DERIVATIVES Astra Aktiebolag (publ) (SE) 1999-10-06 EP disclosed
WO-1998028327-A1 NEW USE OF DIPEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (PUBL) (SE) 1998-07-02 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 (1 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-11591370-B2 Peptoid compound and manufacturing method thereof, oligomer, pharmaceutical composition, and kit TNK1, ANPEP, NME1 DPP4 1466/4885ADRA2C 2037/4885TAAR1 3068/4885

“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.