SCHEMBL69821

SCHEMBL69821

CCN(CC)Cc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 5/20 0.69
HRH3 Q9Y5N1 2/20 0.67
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 1/20 0.47
CCR5 P51681 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL10187442 0.95 PYCR1 (0.69) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL7768079 0.87 HRH3 (0.84) PYCR1HRH3HDAC8HDAC6
SCHEMBL27863482 0.87 PYCR1 (0.61) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL4592107 0.84 ALDH1A1 (0.59) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL2253179 0.83 HRH3 (0.70) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL22340499 0.82 PYCR1 (0.64) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL4592097 0.81 PYCR1 (0.54) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL3620117 0.81 KDM4E (0.56) PYCR1HRH3KDM4EALDH1A1HDAC8
SCHEMBL5926009 0.80 HRH3 (0.73) PYCR1HRH3HDAC8HDAC6
SCHEMBL12680476 0.80 HRH3 (1.00) PYCR1HRH3HDAC8HDAC6TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017112576-A1 METHODS FOR EXTERNAL BASE-FREE SUZUKI COUPLINGS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-29 WO disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
EP-1885718-B1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE LIFE TECHNOLOGIES CORP (US) 2017-03-15 EP disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
US-9366676-B2 Fluorescent chemical compounds having high selectivity for double stranded DNA, and methods for their use Life Technologies Corporation (US) 2016-06-14 US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
EP-1885718-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE Molecular Probes, Inc. (US) 2008-02-13 EP disclosed
US-7226740-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2007-06-05 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2006124816-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE MOLECULAR PROBES, INC. (US) 2006-11-23 WO disclosed
US-20060263844-A1 Flourescent chemical compounds having high selectivity for double standard DNA, and methods for their use MOLECULAR PROBES, INC. 2006-11-23 US disclosed
US-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation 2004-07-15 US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 US disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 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 (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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 PYCR1 387/4885HRH3 89/4885KDM4E 1313/4885
US-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected POLL, IK, ADAR PYCR1 493/4885HRH3 3109/4885KDM4E 1578/4885
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF POLI, POLL, POLRMT PYCR1 1429/4885HRH3 1659/4885KDM4E 4469/4885

“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.