SCHEMBL644787

SCHEMBL644787

c1ccc(NN2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
SIGMAR1 Q99720 4/20 0.48
ADRB1 P08588 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTR6 P50406 3/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2A P28223 1/20 0.40
HTR5A P47898 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
LTA4H P09960 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6626303 0.92 POLB (0.44) POLBSIGMAR1ADRB1HTR3EHTR3B
SCHEMBL16107320 0.88 POLB (0.42) POLBSIGMAR1ADRB1HTR3EHTR3B
SCHEMBL4055295 0.84 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL1829575 0.79 KDM1A (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL1752645 0.79 KDM1A (0.50) POLBKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4147985 0.79 ADRB1 (0.32) POLBSIGMAR1ADRB1HTR3EHTR3B
SCHEMBL861962 0.78 PLK4 (0.39) POLBSIGMAR1ADRB1HTR3EHTR3B
SCHEMBL5551984 0.77 ALDH1A1 (0.47) HTR3AKMT2AMEN1ALDH1A1HTR6
SCHEMBL5550785 0.77 HTR6 (0.53) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL7141364 0.77 CHRNB2 (0.47) POLBKMT2AALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011344-A Photo-thermal stable PTAA copolymer and preparation method thereof 链行走新材料科技(广州)有限公司 2026-05-12 CN claimed
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-04-09 US claimed
CN-115304550-A Piperazine phenyl amino substituted pyrimidine amino acid derivative, preparation method and application 南通大学 2022-11-08 CN claimed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP claimed
US-20220031708-A1 METHOD FOR TREATING IDIOPATHIC PULMONARY FIBROSIS NUMEDII, INC. 2022-02-03 US claimed
EP-3914284-A1 METHOD FOR TREATING IDIOPATHIC PULMONARY FIBROSIS Numedii, Inc. (US) 2021-12-01 EP claimed
EP-3826724-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-06-02 EP claimed
CN-112584903-A Novel piperazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-03-30 CN claimed
WO-2020154608-A1 METHOD FOR TREATING IDIOPATHIC PULMONARY FIBROSIS NUMEDII, INC. (US) 2020-07-30 WO claimed
WO-2020020800-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 WO claimed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US claimed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US claimed
CN-117886824-B 2, 3-Dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2026-05-15 CN disclosed
CN-122011344-A Photo-thermal stable PTAA copolymer and preparation method thereof 链行走新材料科技(广州)有限公司 2026-05-12 CN disclosed
CN-108785265-B Heterocyclic compounds and their use 美国安进公司 2024-10-08 CN disclosed
CN-117946018-A S-triazine LSD1 inhibitor and preparation method and application thereof 郑州大学 2024-04-30 CN disclosed
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 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 (2 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-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 POLB 2189/4885SIGMAR1 2721/4885ADRB1 656/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 POLB 1830/4885SIGMAR1 2751/4885ADRB1 1235/4885

“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.