SCHEMBL3716587

SCHEMBL3716587

CCN1CCc2c(c3ccccc3n2Cc2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD1 P21728 1/20 0.72
SLC6A2 P23975 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRM1 P35372 1/20 0.72
DRD3 P35462 1/20 0.72
SLC6A3 Q01959 1/20 0.72
KCNH2 Q12809 1/20 0.72
HDAC6 Q9UBN7 7/20 0.71
HDAC1 Q13547 5/20 0.71
ALDH1A1 P00352 1/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
HDAC10 Q969S8 1/20 0.62

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
SCHEMBL2355269 0.90 MEN1 (0.70) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL3717936 0.88 MEN1 (0.65) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL12868337 0.88 MEN1 (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL3721549 0.87 GRIN2B (0.66) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL13696008 0.85 ALDH1A1 (0.65) MEN1KMT2ACHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29802 0.84 ADRA2A (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29808874 0.84 ADRA2A (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL14898515 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC10
SCHEMBL12938843 0.83 HDAC6 (0.85) HDAC6HDAC1HDAC10
Mebhydrolin SCHEMBL2141004 0.83 ALDH1A1 (1.00) MEN1KMT2ACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 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
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 (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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MEN1 2156/4885KMT2A 434/4885CHRM2 109/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MEN1 2156/4885KMT2A 434/4885CHRM2 109/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A MEN1 2156/4885KMT2A 434/4885CHRM2 109/4885

“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.