SCHEMBL7091844

SCHEMBL7091844

CCc1nc(CNC)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.42
PDE10A Q9Y233 1/20 0.36
DRD4 P21917 1/20 0.36
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
PDE8B O95263 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 2/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
CCR4 P51679 1/20 0.31
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL25775909 0.88 CDK4 (0.33) SLC6A3PDE10ARAB9AKDM4ELMNA
SCHEMBL28305208 0.85 SLC6A3 (0.44) SLC6A3RAB9AKDM4ELMNACDK4
SCHEMBL16373704 0.84 SLC6A3 (0.36) SLC6A3PDE10ADRD4RAB9AKDM4E
SCHEMBL2256127 0.81
SCHEMBL7180962 0.80 SLC6A3 (0.43) SLC6A3RAB9AKDM4ELMNAHDAC1
SCHEMBL7176228 0.79 POLB (0.35) RAB9AKDM4ELMNACDK4CCND1
SCHEMBL7187247 0.79 MEN1 (0.39) SLC6A3RAB9AKDM4ELMNACDK4
Hydrochloric Acid SCHEMBL10988638 0.79 SLC6A3 (0.46) SLC6A3PDE10ADRD4RAB9AKDM4E
Ammonia Solution, Strong SCHEMBL27615021 0.79 SLC6A3 (0.46) SLC6A3PDE10ADRD4RAB9APDE8B
SCHEMBL2909009 0.75 RAB9A (0.39) RAB9AKDM4ELMNAHPGDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 US disclosed
EP-1090914-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2003-01-02 EP disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US disclosed
US-6017928-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2000-01-25 US disclosed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 US disclosed
US-5886036-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-03-23 US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 US disclosed
EP-0674513-A4 1995-10-25 EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 SLC6A3 4470/4885PDE10A 4594/4885DRD4 4557/4885

“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.