SCHEMBL4550239

SCHEMBL4550239

CC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.76
HSD17B10 Q99714 7/20 0.76
HPGD P15428 6/20 0.76
USP2 O75604 1/20 0.69
TSHR P16473 1/20 0.69
HIF1A Q16665 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.66
KDM4E B2RXH2 10/20 0.65
MAPT P10636 1/20 0.63
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
RECQL P46063 1/20 0.62
ADRB2 P07550 1/20 0.62
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL18124194 0.94 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDUSP2TSHR
SCHEMBL27580597 0.86 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL31081333 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDUSP2TSHR
SCHEMBL1459007 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL9536882 0.83 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL1270156 0.83 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL595054 0.83 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL6826586 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL14344740 0.83 KDM4E (0.61) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL5714681 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO claimed
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (8 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 ALDH1A1 1276/4885HSD17B10 3680/4885HPGD 2588/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A ALDH1A1 983/4885HSD17B10 3013/4885HPGD 312/4885
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA ALDH1A1 3601/4885HSD17B10 2543/4885HPGD 2869/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B ALDH1A1 4275/4885HSD17B10 1945/4885HPGD 791/4885
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX ALDH1A1 982/4885HSD17B10 584/4885HPGD 402/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 ALDH1A1 4145/4885HSD17B10 3192/4885HPGD 2385/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 ALDH1A1 1421/4885HSD17B10 2212/4885HPGD 294/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885HSD17B10 1369/4885HPGD 726/4885

“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.