SCHEMBL735143

SCHEMBL735143

CN1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.78
HTR6 P50406 1/20 0.76
HTR1A P08908 4/20 0.73
MPO P05164 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
BCHE P06276 1/20 0.62
CYP2D6 P10635 1/20 0.62
DRD2 P14416 5/20 0.62
DRD3 P35462 4/20 0.62
DRD1 P21728 2/20 0.62
DRD4 P21917 2/20 0.62
DRD5 P21918 2/20 0.62
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60

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
SCHEMBL6465788 0.94 HTR2A (0.88) HTR2AHTR6HTR1ABCHECYP2D6
SCHEMBL20329100 0.91 HTR1A (0.89) HTR2AHTR6HTR1AMPODRD2
SCHEMBL763446 0.90 HTR2A (0.76) HTR2AHTR6HTR1ABCHECYP2D6
SCHEMBL20244861 0.88 HTR2A (0.78) HTR2AHTR6HTR1AMPOBCHE
SCHEMBL25295661 0.88 HTR2A (1.00) HTR2AHTR1AMPOHTR2CHTR2B
SCHEMBL733629 0.88 HTR2A (0.94) HTR2AHTR1AMPOHTR2CHTR2B
SCHEMBL29543272 0.88 HTR2A (0.94) HTR2AHTR1AMPOHTR2CHTR2B
SCHEMBL11679648 0.87 HTR2A (0.76) HTR2AHTR6HTR1AMPOHTR2C
SCHEMBL948662 0.86 HTR6 (1.00) HTR6HTR1AMPOBCHECYP2D6
SCHEMBL734226 0.86 HTR2A (0.91) HTR2AHTR1AMPOHTR2CHTR2B

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 US disclosed
US-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-02-09 US disclosed
WO-2022261383-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI Life Sciences AG (DE) 2022-12-15 WO disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
US-RE47009-E1 HDAC inhibitors and therapeutic methods using the same THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2018-08-28 US disclosed
US-9249087-B2 HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
EP-2670733-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2013-12-11 EP disclosed
CN-101516844-B 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH 2013-12-11 CN disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 WO disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 WO disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
CN-101516844-A 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH (DE) 2009-08-26 CN 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 (5 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-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, HTR1A HTR2A 13/4885HTR6 15/4885HTR1A 3/4885
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 HTR2A 2483/4885HTR6 1743/4885HTR1A 2609/4885
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, NPY2R HTR2A 12/4885HTR6 13/4885HTR1A 5/4885
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine NPY1R, NPY5R, NPY2R HTR2A 12/4885HTR6 13/4885HTR1A 5/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 HTR2A 238/4885HTR6 254/4885HTR1A 746/4885

“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.