SCHEMBL3405940

SCHEMBL3405940

BrCCCCOc1ccc2scnc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.35
PTK6 Q13882 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
SCHEMBL245196 0.95 DRD2 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL17848359 0.90 DRD2 (0.46) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL17848540 0.88 NPC1 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL5082158 0.84 DRD2 (0.50) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL27354687 0.83 DRD2 (0.44) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8469350 0.81 DRD2 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL11841206 0.78 DRD2 (0.44) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL17861608 0.78 DRD2 (0.45) DRD2ALDH1A1HSD17B10TDP1PKM
SCHEMBL31140212 0.77 ALDH1A1 (0.50) DRD2DRD3ALDH1A1HSD17B10TDP1
SCHEMBL8792712 0.77 AGXT (0.43) DRD2DRD3HTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN 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
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-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-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
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 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 (1 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 DRD2 1/4885DRD3 12/4885HTR1A 95/4885

“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.