SCHEMBL3721776

SCHEMBL3721776

CN1CCc2c(c3cc(Cl)ccc3n2CCC2CCCCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BAZ2B Q9UIF8 3/20 0.49
HTR6 P50406 11/20 0.49
HRH1 P35367 10/20 0.49
MAOA P21397 5/20 0.49
MAOB P27338 5/20 0.49
ADRA2A P08913 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD2 P14416 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
SCHEMBL14963869 0.99 HDAC1 (0.54) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL3718001 0.91 MAOA (0.46) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL4301068 0.90 HDAC1 (0.45) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL13696170 0.89 HDAC1 (0.52) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL3717064 0.88 HTR6 (0.65) HDAC1HDAC6HTR6HRH1MAOA
SCHEMBL13696171 0.84 HDAC1 (0.49) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL13696169 0.84 HDAC1 (0.57) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL3318899 0.82 BAZ2B (0.53) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL13538793 0.81 HDAC1 (0.52) HDAC1HDAC6BAZ2BHTR6HRH1
SCHEMBL3318287 0.81 HDAC1 (0.62) HDAC1HDAC6BAZ2BHTR6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC1 1375/4885HDAC6 2844/4885BAZ2B 576/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885BAZ2B 2213/4885

“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.