SCHEMBL5740884

SCHEMBL5740884

CC(=O)NCC1CCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
NAMPT P43490 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1H O95180 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40
SSTR4 P31391 2/20 0.39
PARP1 P09874 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MAPK1 P28482 2/20 0.38
CCR3 P51677 1/20 0.38
FAP Q12884 2/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL25808542 1.00 MTNR1A (0.44) MTNR1AMTNR1BNAMPTDRD2DRD3
SCHEMBL8136269 0.90 MTNR1A (0.45) MTNR1AMTNR1BNAMPTCACNA1HNPSR1
SCHEMBL14155724 0.89 CCR3 (0.44) MTNR1AMTNR1BCACNA1HNPSR1MAPT
SCHEMBL14559366 0.89 CCR3 (0.44) MTNR1AMTNR1BCACNA1HNPSR1MAPT
SCHEMBL17207607 0.89 CCR3 (0.44) MTNR1AMTNR1BCACNA1HNPSR1MAPT
SCHEMBL3937928 0.87 NAMPT (0.42) NAMPTDRD2DRD3MAPTSSTR4
SCHEMBL15841168 0.86 MTNR1A (0.47) MTNR1AMTNR1BCACNA1HNPSR1MAPK1
SCHEMBL31420630 0.85 CYP2D6 (0.44) NAMPTDRD2DRD3MAPTSSTR4
SCHEMBL856649 0.85 CYP2D6 (0.44) NAMPTDRD2DRD3MAPTSSTR4
SCHEMBL12136889 0.81 EPHX2 (0.48) MTNR1AMTNR1BCACNA1HNPSR1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 WO disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150087043-A1 MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION THAT EMPLOY BIOORTHOGONAL CHEMISTRIES, AND METHODS OF USING SAME Coferon, Inc (US) 2015-03-26 US disclosed
US-20150080570-A1 ALPHA,BETA-UNSATURATED MONOMERS CAPABLE OF MULTIMERIZATION IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-03-19 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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 (6 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT MTNR1A 1495/4885MTNR1B 2222/4885NAMPT 45/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B MTNR1A 4563/4885MTNR1B 4639/4885NAMPT 2993/4885
US-20150080570-A1 ALPHA,BETA-UNSATURATED MONOMERS CAPABLE OF MULTIMERIZATION IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME FABP1, TTPA, STIM1 MTNR1A 1972/4885MTNR1B 2509/4885NAMPT 2661/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B MTNR1A 4563/4885MTNR1B 4639/4885NAMPT 2993/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MTNR1A 200/4885MTNR1B 115/4885NAMPT 349/4885
US-20150087043-A1 MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION THAT EMPLOY BIOORTHOGONAL CHEMISTRIES, AND METHODS OF USING SAME ECPAS, CALCOCO2, MDN1 MTNR1A 2860/4885MTNR1B 2990/4885NAMPT 2887/4885

“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.