SCHEMBL989858

SCHEMBL989858

Cc1ccc(N(N)CCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.55
CYP2C19 P33261 1/20 0.52
TAAR1 Q96RJ0 2/20 0.48
CNR2 P34972 2/20 0.46
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6488095 0.93 AOC3 (0.50) AOC3CYP2C19TAAR1CNR2CHRM2
SCHEMBL13696394 0.86 AOC3 (0.59) AOC3TAAR1CHRM2HTR1AADRA2A
SCHEMBL991930 0.82 AOC3 (0.58) AOC3TAAR1CNR2KCNH2SIGMAR1
SCHEMBL12082172 0.79 TAAR1 (0.55) AOC3CYP2C19TAAR1CNR2CHRM2
SCHEMBL6488567 0.76 AOC3 (0.64) AOC3CHRM2HTR1AADRA2ACHRM1
SCHEMBL3726672 0.75 NPSR1 (0.58) CYP2C19TAAR1TDP1CYP1A2
SCHEMBL121248 0.75 TSHR (0.39) CYP2C19TAAR1ADRA2AADRA1ADRD3
SCHEMBL14647590 0.75 CYP2C19 (0.57) CYP2C19TAAR1CNR2CHRM2HTR1A
Hydrochloric Acid SCHEMBL119950 0.74 TSHR (0.38) CYP2C19TAAR1ADRA2AADRA1ADRD3
SCHEMBL13569441 0.73 CYP2C19 (0.55) AOC3CYP2C19TAAR1CNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238260-A1 NORADRENERGIC AND SPECIFIC SEROTONERGIC ANXIOLYTIC AND ANTIDEPRESSANT, METHOD FOR THE PRODUCTION AND USE THEREOF SAVCHUK, NIKOLAY FILIPPOVICH 2024-07-18 US disclosed
US-20240238260-A1 NORADRENERGIC AND SPECIFIC SEROTONERGIC ANXIOLYTIC AND ANTIDEPRESSANT, METHOD FOR THE PRODUCTION AND USE THEREOF SAVCHUK, NIKOLAY FILIPPOVICH 2024-07-18 US disclosed
EP-4137208-A1 NORADRENERGIC AND SPECIFIC SEROTONERGIC ANXIOLYTIC AND ANTIDEPRESSANT, AND METHOD FOR PRODUCING SAME AND USING SAME Savchuk, Nikolay Filippovich (US) 2023-02-22 EP disclosed
CN-106188043-A Tetracyclic compound 梅迪维新技术公司 2016-12-07 CN 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-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-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO 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-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885CYP2C19 466/4885TAAR1 110/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A AOC3 819/4885CYP2C19 1698/4885TAAR1 39/4885
US-20240238260-A1 NORADRENERGIC AND SPECIFIC SEROTONERGIC ANXIOLYTIC AND ANTIDEPRESSANT, METHOD FOR THE PRODUCTION AND USE THEREOF HTR2A, HTR1A, HTR2B AOC3 336/4885CYP2C19 462/4885TAAR1 54/4885

“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.