SCHEMBL837901

SCHEMBL837901

O=C1NCCC1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.60
CRBN Q96SW2 1/20 0.60
GBA1 P04062 1/20 0.47
MAOB P27338 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
TACR2 P21452 2/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 2/20 0.43
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.40

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
SCHEMBL5755963 0.89 DDB1 (0.57) DDB1CRBNGBA1MAOBHDAC8
SCHEMBL2729166 0.88 DDB1 (0.55) DDB1CRBNGBA1MAOBPOLB
Hydrochloric Acid SCHEMBL15650706 0.88 DDB1 (0.55) DDB1CRBNGBA1MAOBHDAC8
SCHEMBL1963328 0.82 CRBN (0.41) DDB1CRBNPOLBKMT2A
SCHEMBL31300144 0.82 DDB1 (0.41) DDB1CRBNTACR2POLBCYP19A1
SCHEMBL3051430 0.82 ALDH1A1 (0.44) DDB1CRBNPOLBALDH1A1CTSD
SCHEMBL28260107 0.82 KMT2A (0.43) DDB1CRBNPOLBALDH1A1RAB9A
SCHEMBL6211599 0.82 MAOB (0.46) DDB1CRBNMAOB
SCHEMBL27429818 0.82 GSK3B (0.49) DDB1CRBNALDH1A1CTSD
SCHEMBL8070063 0.80 DDB1 (0.42) DDB1CRBNPOLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US claimed
US-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders Smilebiotek Zhuhai Limited (CN) 2024-06-25 US disclosed
CN-106414534-B It is suitable as the urea preparation of the stable storage of rheology control agent 比克化学股份有限公司 2019-05-07 CN disclosed
EP-3131939-A1 STORAGE-STABLE UREA PREPARATIONS WHICH ARE SUITABLE AS RHEOLOGY CONTROL AGENTS BYK-Chemie GmbH (DE) 2017-02-22 EP disclosed
CN-106414534-A Storage-stable urea preparations which are suitable as rheology control agents 比克化学股份有限公司 2017-02-15 CN disclosed
WO-2015158794-A1 STORAGE-STABLE UREA PREPARATIONS WHICH ARE SUITABLE AS RHEOLOGY CONTROL AGENTS BYK-CHEMIE GMBH (DE) 2015-10-22 WO disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-6680331-B2 ADMINISTERING DIETHYL LACTAMS SUCH AS 3,3-DIETHYL-2-PYRROLIDINONE FOR INDUCING ANESTHESIA OR CONSCIOUS SEDATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-01-20 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN disclosed
US-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-04-24 US disclosed
WO-2003007940-A1 LACTAM AND THIOLACTAM DERIVATIVES AS ANESTHETIC AND CONSCIOUS SEDATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-01-30 WO disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed
WO-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 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 (4 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-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH DDB1 3351/4885CRBN 4761/4885GBA1 384/4885
US-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents GABRD, GABRE, CCT8 DDB1 1094/4885CRBN 189/4885GBA1 3683/4885
US-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders MB, MYOC, PDE6A DDB1 500/4885CRBN 3474/4885GBA1 85/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R DDB1 861/4885CRBN 3072/4885GBA1 1274/4885

“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.