SCHEMBL8410557

SCHEMBL8410557

Cc1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
HRH3 Q9Y5N1 3/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH2 P25021 3/20 0.55
HRH1 P35367 3/20 0.55
KCNA5 P22460 3/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51

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
SCHEMBL8410113 0.92 HRH3 (0.65) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL26382840 0.91 MEN1 (0.56) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL16358244 0.89 HRH3 (0.58) HRH3KDM4EALDH1A1HRH2HRH1
SCHEMBL19462908 0.87 LTA4H (0.64) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL15834053 0.84 HRH3 (0.66) LTA4HHRH3KDM4E
SCHEMBL8337754 0.84 HRH3 (0.70) LTA4HHRH3KDM4EALDH1A1
SCHEMBL13952170 0.84 LTA4H (0.69) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL3251652 0.83 LTA4H (0.67) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL12156443 0.83 LTA4H (0.67) LTA4HHRH3MAPTKDM4EALDH1A1
SCHEMBL10857813 0.83 LTA4H (0.67) LTA4HHRH3MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102924406-A Substituted aryl oxygen ethylpiperazine derivative, preparation method of substituted aryl oxygen ethylpiperazine derivative and application of substituted aryl oxygen ethylpiperazine derivative UNIV NANJING MEDICAL 2013-02-13 CN claimed
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-10-14 US disclosed
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-05-04 US disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
CN-110128369-A Benzo [d] isothiazole -3 (2H) -one derivative and its preparation method and application 东南大学 2019-08-16 CN disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
CN-102924406-B Substituted aryl oxygen ethylpiperazine derivative, preparation method of substituted aryl oxygen ethylpiperazine derivative and application of substituted aryl oxygen ethylpiperazine derivative UNIV NANJING MEDICAL 2014-11-05 CN disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-5962453-A HEPATITIS THERAPY NIPPON SHINYAKU CO. LTD. (JP) 1999-10-05 US disclosed
CN-1155244-A Triazine derivative and medicine NIPPON SHINYAKU CO LTD (JP) 1997-07-23 CN disclosed
EP-0775487-A1 TRIAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-05-28 EP disclosed
US-5147882-A Cardiovascular disorders KARL THOMAE GMBH (DE) 1992-09-15 US disclosed
EP-0450429-A1 Cyclophanes, process for their preparation and pharmaceuticals containing them Dr. Karl Thomae GmbH (DE) 1991-10-09 EP disclosed
CN-87100040-A The alkylamine that alkyl diaryl replaces, its preparation technology's method, the medicine of using and containing this compounds 1987-09-16 CN 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 (8 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-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL LTA4H 3562/4885HRH3 3690/4885MAPT 3617/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS LTA4H 4652/4885HRH3 2940/4885MAPT 2288/4885
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 LTA4H 3948/4885HRH3 2108/4885MAPT 403/4885
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use EGFR, ERBB2, ERBB3 LTA4H 3777/4885HRH3 3355/4885MAPT 1271/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 LTA4H 3777/4885HRH3 3355/4885MAPT 1271/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL LTA4H 2580/4885HRH3 1946/4885MAPT 2558/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL LTA4H 2580/4885HRH3 1946/4885MAPT 2558/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL LTA4H 3562/4885HRH3 3690/4885MAPT 3617/4885

“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.