SCHEMBL3719220

SCHEMBL3719220

Cc1ccc(Cn2c3c(c4ccccc42)CN(C)CC3)cn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.85
KDM4E B2RXH2 1/20 0.85
ADRA2A P08913 2/20 0.72
ADRA1A P35348 2/20 0.72
DRD3 P35462 2/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 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
OPRM1 P35372 1/20 0.72
SLC6A3 Q01959 1/20 0.72
KCNH2 Q12809 1/20 0.72
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
HRH1 P35367 5/20 0.67
HTR6 P50406 5/20 0.67
BCHE P06276 2/20 0.67
DRD2 P14416 1/20 0.67

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
SCHEMBL1662164 0.92 ALDH1A1 (1.00) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL30945675 0.92 ALDH1A1 (1.00) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL3714162 0.86 HRH1 (0.84) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL13696008 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL4127989 0.86 HRH1 (0.83) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL12938848 0.85 ADRA2A (0.83) ALDH1A1KDM4EADRA2AADRA1ADRD3
Dorastine SCHEMBL3121653 0.85 ALDH1A1 (0.77) ALDH1A1KDM4EADRA2AADRA1ADRD3
Mebhydrolin SCHEMBL29802 0.84 ADRA2A (1.00) ALDH1A1KDM4EADRA2AADRA1ADRD3
Mebhydrolin SCHEMBL29808874 0.84 ADRA2A (1.00) ALDH1A1KDM4EADRA2AADRA1ADRD3
SCHEMBL3716403 0.83 CHRM2 (0.83) ALDH1A1KDM4EADRA2AADRA1ADRD3

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 35 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-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

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 ALDH1A1 1557/4885KDM4E 894/4885ADRA2A 200/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885KDM4E 894/4885ADRA2A 200/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885KDM4E 894/4885ADRA2A 200/4885

“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.