SCHEMBL3457233

SCHEMBL3457233

CN1CCc2c(sc3ncn(CCO)c(=O)c23)C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTR1A P08908 18/20 0.62
ADRA1D P25100 18/20 0.62
HTR1B P28222 18/20 0.62
ADRA1A P35348 18/20 0.62
ADRA1B P35368 18/20 0.62
DRD2 P14416 2/20 0.58
HTR2A P28223 2/20 0.58
HTR7 P34969 2/20 0.58
DRD3 P35462 2/20 0.58
HTR2C P28335 1/20 0.58
P2RX3 P56373 1/20 0.56

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
SCHEMBL3457276 0.88 HTR1A (0.64) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL14142931 0.88 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993825 0.85 HTR1A (0.57) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993267 0.83 HTR1A (0.59) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7522252 0.83 ALDH1A1 (0.71) NPC1RAB9ASMN1; SMN2
SCHEMBL4493613 0.81 SIGMAR1 (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6999544 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HTR1AADRA1D
SCHEMBL6998104 0.80 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL4511186 0.80 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2HTR1AADRA1D
SCHEMBL7720235 0.79 HTR1A (0.78) HTR1AADRA1DHTR1BADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196301-A1 USE OF BINDING PARTNERS FOR 5-HT5 RECEPTORS FOR THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-08-02 US disclosed
EP-2266570-A1 Use of binding partners for 5-HT5 receptors for treating neurodegenerative and neuropsychiatric disorders Abbott GmbH & Co. KG (DE) 2010-12-29 EP disclosed
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
EP-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 US disclosed
US-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-10-14 US disclosed
US-6750221-B1 IN VITRO BINDING STUDIES TO SCREEN COMPOUNDS FOR SELECTIVITY OF 5HT-5 OVER 5HT-1A RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 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 (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-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders HTR5A, GRM5, GRIK5 NPC1 2482/4885RAB9A 2492/4885SMN1; SMN2 3377/4885
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 NPC1 2892/4885RAB9A 2126/4885SMN1; SMN2 4220/4885
US-20120196301-A1 USE OF BINDING PARTNERS FOR 5-HT5 RECEPTORS FOR THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS HTR5A, GRM5, GRIK5 NPC1 2482/4885RAB9A 2492/4885SMN1; SMN2 3377/4885

“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.