SCHEMBL942628

SCHEMBL942628

COc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.66
TDP1 Q9NUW8 1/20 0.54
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ACVR1B P36896 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
IKBKB O14920 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
Hydrochloric Acid SCHEMBL7480710 0.98 HRH1 (0.63) HRH1TDP1KDM1AMAOAMAOB
SCHEMBL31142632 0.89 CHRNB2 (0.53) HRH1TDP1MAOAHTR2CROCK1
Hydrochloric Acid SCHEMBL31142619 0.87 CHRNB2 (0.51) HRH1TDP1MAOAHTR2CROCK1
SCHEMBL16838744 0.85 SMN1; SMN2 (0.56) HRH1TDP1KDM1AMAOAMAOB
SCHEMBL12167875 0.84 HRH1 (0.55) HRH1TDP1MAOAMAOBACVR1B
SCHEMBL2365784 0.84 HRH1 (0.66) HRH1ACVR1BTGFBR1ACVR1KCNH2
SCHEMBL2019376 0.83 HRH1 (0.70) HRH1ACVR1BTGFBR1ACVR1KCNH2
Hydrochloric Acid SCHEMBL31587801 0.82 HRH1 (0.63) HRH1TDP1ACVR1BTGFBR1ACVR1
SCHEMBL942733 0.82 HRH1 (0.62) HRH1IKBKBADRB1HTR2C
SCHEMBL29995290 0.82 HRH1 (0.62) HRH1IKBKBADRB1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019203427-A1 CHELATING AGENT HAVING EXCELLENT PROPERTY OF SELECTIVELY FORMING COMPLEX WITH SPECIFIC METAL ION, AND PRODUCTION METHOD THEREFOR (주)이엠티 2019-10-24 WO claimed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 US claimed
EP-3221307-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2017-09-27 EP claimed
WO-2016079760-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO claimed
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US claimed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US claimed
EP-2179988-A1 Producing (N-heterocyclic) aryl ethers Saltigo GmbH (DE) 2010-04-28 EP claimed
US-20240285614-A1 PHENOL RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-08-29 US disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
EP-4065570-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
WO-2021105115-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed
WO-2021105115-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
EP-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP 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 (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-20240285614-A1 PHENOL RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM2B, RRM2, RRM1 HRH1 3983/4885TDP1 520/4885KDM1A 2078/4885
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH1 326/4885TDP1 1402/4885KDM1A 1468/4885
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF PIK3CA, PIK3R5, PIK3CD HRH1 3298/4885TDP1 1480/4885KDM1A 1469/4885

“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.