SCHEMBL4132924

SCHEMBL4132924

Cc1ccc2c(n1)NC(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
DRD2 P14416 10/20 0.40
HTR1A P08908 8/20 0.40
HTR2A P28223 8/20 0.40
NPC1 O15118 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.38
MMP12 P39900 1/20 0.38
RAB9A P51151 1/20 0.38
CRBN Q96SW2 2/20 0.37
BRS3 P32247 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL29809401 1.00 PDE3B (0.50) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL17928610 0.89 MAPT (0.43) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL12680338 0.83 PDE3B (0.49) PDE3BPDE3ACYP2C19
SCHEMBL5366571 0.78 CA9 (0.47) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL4148301 0.78 PDE3B (0.43) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL21671865 0.78 PDE3B (0.43) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL18202413 0.78 PDE3B (0.43) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL5371747 0.78 PDE3B (0.43) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL13937428 0.77 PDE3B (0.47) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL13111251 0.77 PDE3B (0.43) PDE3BPDE3ADRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9572801-B2 Tetrahydronaphthyridinyl propionic acid derivatives and uses thereof SCIFLUOR LIFE SCIENCES, INC. (US) 2017-02-21 US disclosed
US-20160317527-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. 2016-11-03 US disclosed
WO-2016176532-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. (US) 2016-11-03 WO disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885DRD2 4049/4885
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 PDE3B 892/4885PDE3A 725/4885DRD2 1/4885
US-20160317527-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF CPT1A, CFTR, SLC10A1 PDE3B 369/4885PDE3A 273/4885DRD2 2091/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 PDE3B 4670/4885PDE3A 4706/4885DRD2 666/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 PDE3B 4571/4885PDE3A 4627/4885DRD2 841/4885

“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.